SepSolve ChromSpace software

Importance of the Topic

Comprehensive two-dimensional gas chromatography (GC×GC) significantly enhances separation capabilities for complex sample matrices. Despite its power, widespread adoption is hindered by challenging data processing requirements. ChromSpace addresses this gap by offering an intuitive, integrated software platform that simplifies multidimensional GC analysis and accelerates routine workflows.

Objectives and Overview

This document presents ChromSpace as a unified environment for both instrument control and advanced data processing in GC×GC. Developed with input from academic and industrial experts, the software aims to streamline method development, data exploration and batch processing while maintaining the depth required for detailed quantitative studies.

Methodology

ChromSpace combines proprietary peak-perception and deconvolution algorithms with flexible visualization tools. Key methodological elements include real-time color and surface plotting, linked linear chromatograms for accurate retention profiling, customizable scripting expressions for targeted filtering, and automated compound-class classification using dynamic stencils.

Instrumental Setup

The software supports full instrument control for a range of GC×GC systems and imports data from multiple vendors via NetCDF files. It accommodates both mass spectrometry (TOF MS) and flame ionization detection (FID), as well as third-party modulators such as INSIGHT™.

Main Results and Discussion

• Real-time updates of 3D surface and color plots enable live data exploration during acquisition.
• Customizable layouts and dynamic panes improve navigation across multiple data files.
• One-click library matching and batch processing streamline compound identification.
• Robust quantitation via combined MS and FID processing ensures accurate measurement of trace components.
• Advanced deconvolution resolves co-eluting analytes in complex mixtures such as whisky headspace and cannabis extracts.

Benefits and Practical Applications

By integrating instrument control with powerful data analysis, ChromSpace accelerates method development, reduces downtime, and enhances throughput in applications including environmental monitoring, petrochemical profiling, food and fragrance analysis, and QA/QC laboratories.

Future Trends and Applications

Prospective developments include AI-driven peak annotation, cloud-based collaboration and data sharing, expanded compatibility with emerging GC×GC hardware, and further automation of routine QA/QC processes.

Conclusion

ChromSpace represents a significant advance in GC×GC data handling, offering a balance of ease-of-use and analytical depth. Its comprehensive feature set supports reliable separation, detection, quantification, and reporting for complex analytical challenges.