Thermo Scientific UniQuant Software

Significance of the Topic

Standard-based XRF analysis can be limited when no suitable reference materials are available. Standardless quantification expands the applicability of XRF to unknown, irregular or small samples across industries ranging from materials research to environmental monitoring and quality control.

Objectives and Overview of the Study

This application note presents Thermo Scientific UniQuant Software as a comprehensive solution for semi-quantitative to quantitative XRF analysis on sequential WDXRF spectrometers. It outlines the software’s principles, calibration strategy, performance benchmarks and practical laboratory workflows.

Methodology and Instrumentation

UniQuant Software leverages a fundamental parameters framework enhanced by proprietary DJ Kappa equations to account for intrinsic spectrometer sensitivities. Core features include:

• Peak-by-peak acquisition using 122 channels for elements F (Z=9) through Am (Z=95)
• Effective mass absorption coefficients for rapid interelement corrections without full-spectrum integrations
• Advanced background subtraction and spectral overlap corrections with full error propagation
• Flexible user input of sample geometry, mass/area, dilution factor and assumed chemical forms (oxides, sulfides, etc.)

The software operates as an option within Thermo Scientific OXSAS XRF analysis platforms, factory-calibrated on ARL PERFORM’X, ARL X900 and ARL OPTIM’X spectrometers.

Main Results and Discussion

Verification with certified reference materials and various sample types (alloys, minerals, polymers, oils) demonstrated:

• Major and minor element quantification (>1 wt%) with standard errors approximating 0.05–0.15·√(weight %) depending on sample matrix
• Trace detection limits down to a few ppm, aided by extended counting times and peak-by-peak acquisition
• Close agreement (typically within a few percent) between UniQuant results and certified compositions
• Full-spectrum unknown analyses in 14–18 minutes, with reduced-channel scans for routine sample families in as little as 5 minutes

Many laboratories have adopted UniQuant as their primary XRF method, replacing conventional calibration-based workflows.

Benefits and Practical Applications

UniQuant Software offers laboratories the ability to:

• Perform quantitative XRF without external standards for up to 79 elements
• Fine-tune calibrations via daughter calibrations using a minimal set of in-house or international standards
• Analyze small, oddly shaped, thin-layer or liquid samples in helium atmosphere without sample destruction
• Execute rapid pre-screening of unknown samples to guide further analytical decisions
• Batch process multiple samples and generate customizable reports (DOC, XLS, PDF) with concentration and uncertainty data

Future Trends and Applications

Anticipated developments include:

• Expanded calibrations for ultra-light elements (Be–O) and novel material classes
• Integration of automated data workflows and AI-driven spectral interpretation
• Combining standardless XRF with complementary techniques such as X-ray diffraction for phase analysis

Conclusion

Thermo Scientific UniQuant Software delivers a versatile, accurate and user-friendly platform for standardless XRF quantification on sequential spectrometers. Its rapid, interactive workflow, broad elemental coverage and minimal sample preparation requirements make it an essential tool for research, QA/QC and industrial applications.