Data and method transfer from System II analyzer to Metrohm NIRS XDS or DS 2500 analyzers

Importance of Topic

Near-infrared spectroscopy (NIRS) is a critical technique in quality control, process monitoring, and research across pharmaceutical, polymer, and agricultural industries. With FOSS NIRSystems System II analyzers reaching end-of-life, laboratories require a reliable pathway to migrate existing methods to modern Metrohm NIRS XDS and DS2500 instruments without revalidating entire workflows.

Objectives and Study Overview

This Application Note outlines the systematic transfer of qualitative and quantitative NIRS methods from legacy System II (5000/6500) analyzers to Metrohm XDS and DS2500 platforms. It highlights the advantages of the new instruments—enhanced spectral resolution, extended wavelength range, faster acquisition—and demonstrates a streamlined transfer workflow using Vision software.

Methodology and Instrumentation

The transfer workflow consists of:

• Reference standardization of System II spectra (ensuring consistent baseline).
• Data conversion and spectral expansion to cover 400–2500 nm.
• Application of photometric correction to align sensitivity differences.
• Recalibration using Vision 4.1 (Metrohm code 6.6069.412), including sample selection and regression model development.
• Validation with independent sample sets and optional bias/slope adjustments.

Key instrumentation:

• FOSS NIRSystems System II (5000/6500) Analyzers
• Metrohm NIRS XDS Analyzer
• Metrohm DS2500 Analyzer
• Vision software version 4.1

Main Results and Discussion

• Resolution and Range Improvements: XDS/DS2500 deliver 0.5 nm resolution versus 2 nm and extend coverage to 400–2500 nm rather than 1100–2500 nm.
• Qualitative Analysis: Superior peak definition is evident in propafenone spectra, while additional Vis-NIR bands enable clear differentiation of herbal samples such as littleleaf and silver linden.
• Quantitative Analysis Example – Polyethylene Density: Extending into visible range raises the calibration correlation coefficient (R²) from 0.942 to 0.965 and reduces SEC from 0.0038 to 0.0029 g/cm³ and SECV from 0.0041 to 0.0032 g/cm³.

Benefits and Practical Applications

The transfer approach allows immediate use of existing NIRS models on modern platforms, minimizing downtime and revalidation effort. Enhanced spectral information and resolution support more robust qualitative identification, accurate quantitative assays, and future model refinements without complete data recollection.

Future Trends and Potential Applications

• Integration of machine learning algorithms for improved calibration robustness.
• Remote networking of NIRS instruments for centralized model updates.
• Process analytical technology (PAT) applications leveraging full Vis-NIR range.
• Expanded use in real-time monitoring of complex formulations and critical quality attributes.

Conclusion

Migrating from FOSS System II to Metrohm NIRS XDS and DS2500 analyzers is a straightforward process that elevates analytical performance through enhanced spectral resolution and range. By following a standardized transfer and recalibration workflow, laboratories can preserve existing models, realize faster measurements, and unlock new applications across industries.