Thermo Scientific iCAP PRO Series ICP-OES and Qnova Series ICP-MS

Significance of the Topic

High-throughput laboratories routinely process thousands of samples weekly for trace element analysis. Manual data transcription of sample identifiers, dilution factors and rack positions is time-consuming and error-prone. Seamless integration between Laboratory Information Management Systems (LIMS) and analytical instruments is essential to maintain data integrity, reduce turnaround times and control operational costs.

Objectives and Study Overview

This Product Spotlight outlines the capabilities of the Thermo Scientific Qtegra Intelligent Scientific Data Solution (ISDS) software for interfacing with LIMS in trace element workflows using ICP-OES (iCAP PRO Series) and ICP-MS (Qnova Series). The goal is to demonstrate how Qtegra ISDS automates sample run list creation, metadata mapping, dilution calculations and result reporting to streamline high-volume analyses.

Instrumentation Used

• Thermo Scientific iCAP PRO Series ICP-OES
• Thermo Scientific Qnova Series ICP-MS
• Qtegra ISDS software (LIMS interface and data management)

Methodology

The workflow begins with sample receipt and booking into LIMS, where metadata such as sample ID, weight, final volume and dilution factor are recorded in CSV or XML format. Qtegra ISDS employs a user-editable XML mapping file to link LIMS column headers (e.g., “Sample_ID”) to sample list fields (e.g., “Label”) within the software. Users select a predefined analysis template, choose the LIMS-exported CSV file and assign the mapping file. Qtegra ISDS then creates a LabBook combining template-defined QC routines with imported sample metadata. Total dilution factors are calculated automatically based on weight, volume and any additional dilutions. After acquisition, results are exported or reported in PDF, CSV or XML using user-defined export schemes, with options for row/column transposition and block grouping of statistical data.

Main Results and Discussion

Implementation of Qtegra ISDS in a high-throughput environment successfully automated sample list generation and data reporting, eliminating manual transcription steps. XML mapping templates provided flexibility to adapt to varying LIMS file structures. Automated dilution calculations reduced operator workload and potential for calculation errors. The direct export of results in configurable digital formats enabled rapid ingestion back into LIMS, closing the data loop efficiently.

Benefits and Practical Applications

• Significant time savings in sample run setup and data reporting
• Elimination of transcription and calculation errors
• Improved laboratory throughput and productivity
• Consistent QC implementation via templates
• Seamless bidirectional data exchange with LIMS

Future Trends and Potential Applications

Integration with advanced barcoding and QR code tracking, cloud-based LIMS platforms and AI-driven data validation tools will further enhance laboratory automation. Expansion of customizable templates and real-time instrument monitoring can support dynamic workload balancing and predictive maintenance in large analytical facilities.

Conclusion

Thermo Scientific Qtegra ISDS software provides a robust, flexible interface for trace element analysis instruments and LIMS, enabling fully automated sample list creation, metadata mapping, dilution calculation and result reporting. Adoption of this solution leads to reduced costs, enhanced data integrity and accelerated turnaround times in high-throughput laboratories.

References

No external bibliographic references were provided in the original text.