MICROLAB QUANT software

Significance of the Topic

Fourier-transform infrared spectroscopy (FTIR) is widely used for rapid and non-destructive quantitative analysis in laboratories and in the field. Developing robust calibration models enhances confidence in measurement results and reduces the need for daily recalibration. User-friendly, method-driven software is essential to make advanced FTIR quantitation accessible to both routine and expert users.

Objectives and Study Overview

This application note introduces Agilent’s MicroLab Quant software, designed to streamline quantitative method development for FTIR. The goals are to guide users through calibration creation, optimize model performance in real time, and support deployment on both portable and benchtop Agilent FTIR systems. Integration with Agilent DialPath transmission accessories further enhances sensitivity and reproducibility for liquid samples.

Methodology and Instrumentation

MicroLab Quant adopts a method-driven workflow that enforces a logical sequence of steps from standard selection through model evaluation.

• Calibration algorithms: Simple Beer’s law, classical least squares (CLS), inverse least squares (ILS).
• Peak handling: definitions based on height, area or ratio; dynamic addition/removal of peaks and standards.
• Real-time updates: instantaneous feedback on calibration performance during method building.
• Model evaluation: built-in cross validation (leave-one-out) and separate validation using independent standards; automatic calculation of correlation (R²) and standard error.
• File compatibility: exports complete method projects, PC method files, and PC model files for routine use in MicroLab PC and MicroLab Mobile software (version 5.1 or higher).
• Instrumentation: compatible with Agilent Cary 630, 4100 ExoScan, 4200 FlexScan, 4300 Handheld, 4500 and 5500 Series FTIR systems. Works seamlessly with DialPath transmission cells (30–1000 µL path length, three factory-set paths).

Main Results and Discussion

Agilent demonstrated that MicroLab Quant reduces calibration time and minimizes user error by guiding users through each step with built-in checks. Real-time visualization of calibration curves and diagnostics (actual vs predicted plots, R² trends) allows rapid optimization. Combined with the high sensitivity and reproducibility of DialPath cells, the software consistently produced accurate quantitative models suitable for trace-level liquid analysis.

Benefits and Practical Applications

Key advantages of the MicroLab Quant platform include:

• Intuitive workflow requiring minimal training.
• Cross-platform compatibility for both lab-based and field-portable FTIR instruments.
• Flexible algorithm selection to address simple and complex mixtures.
• Advanced diagnostics to ensure model reliability before deployment.
• Automated file generation for seamless transfer between development and routine analysis.

This solution is ideally suited for quality control in petrochemicals, environmental monitoring (e.g., oil in water), pharmaceuticals, food and beverage, and polymer industries.

Future Trends and Applications

As digitalization advances, FTIR quantitation software is likely to integrate cloud-based data management, machine learning algorithms for predictive model refinement, and expanded spectral libraries. Miniaturized FTIR sensors and automated sample interfaces will further broaden on-site testing capabilities. Collaborative platforms may allow sharing and validation of methods across laboratories globally.

Conclusion

Agilent’s MicroLab Quant software simplifies the creation, optimization and validation of quantitative FTIR methods. Its method-driven approach, combined with real-time model diagnostics and broad instrument compatibility, empowers both routine operators and experienced analysts to achieve reliable, reproducible results with minimal effort.