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Chemometric Modeling Services

HORIBA Process Raman analyzers integrate advanced chemometric modeling tools to deliver precise, real-time results tailored to refinery applications. Our PROspect software seamlessly incorporates both Solo from Eigenvector Research, Inc., and GRAMS IQ from Thermo Fisher Scientific, providing flexibility and robustness in data analysis.

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man examining data on a laptop as part of HORIBA's chemometric modeling services

Your Simple, Cost-efficient Turnkey Solution 

At HORIBA Process Instruments, we understand the unique demands of your industry. Our cutting-edge solutions are designed to deliver accurate, real-time insights for process optimization, safety, and compliance. From oil and gas to pharmaceuticals and beyond, we provide reliable tools that empower you to monitor critical parameters, reduce operational costs, and improve product quality.

Tailoring Chemometric Models for Application-Specific Needs

Developing reliable chemometric models begins with selecting appropriate preprocessing methods. Factors such as spectral noise, baseline correction, and scaling are considered to determine the best preprocessing strategy for each application. PROspect supports several industry-standard model types, including Partial Least Squares (PLS), Principal Components Analysis (PCA), and Principal Components Regression (PCR), ensuring adaptability to various data complexities and process requirements.

Model Refinement and Validation:

  • The Standard Error of Cross-Validation (SECV) table guides the conservative selection of factors, balancing model complexity with prediction accuracy.
  • Cross-validation techniques, such as Venetian blinds or leave-one-out methods, ensure robust model performance and mitigate overfitting.
  • Outliers are detected using leverage versus studentized residuals, enabling fine-tuning of models to maintain accuracy across diverse process streams.

Generalized Least Squares Weighting (GLSW) Filtering:

  • GLSW filtering minimizes subtle differences between instruments and process streams, reducing the number of factors required in the model.
  • This approach enhances model transferability and consistency, particularly useful for multi-instrument deployments or when process conditions vary.

Seasonal Blends and Hierarchical Models

In applications where seasonal variations influence product properties—such as octane, Reid Vapor Pressure (RVP), and distillation points—HORIBA’s chemometric tools effectively manage these complexities.

  • A single chemometric model often suffices to account for broad seasonal changes.
  • For tighter control of critical parameters, hierarchical modeling provides tailored solutions, allowing smaller seasonal variations to be addressed with specialized sub-models.

PROspect automatically applies the correct model for each parameter using a broader trigger model, ensuring consistent and accurate results across dynamic process conditions. This capability reduces manual intervention and enhances efficiency in refinery operations.

Expert Support and Training

HORIBA includes comprehensive modeling services and support for 12 months following instrument installation. During this period, our experienced team can collaborate with process and lab personnel, providing training to build confidence in managing and refining chemometric models.

Post-installation, HORIBA offers modeling services on a fee-for-service basis, with typical turnaround times of three business days after receiving customer data.

To learn how HORIBA’s advanced chemometric modeling can optimize your process monitoring and control, contact us today to discuss your specific application needs.

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Resources

At HORIBA Process Instruments, we are committed to more than just delivering cutting-edge Raman technology—we aim to empower you with the knowledge and tools to excel in your industry. Our Resources & Knowledge Base is your go-to hub for expert insights, technical documentation, and best practices to optimize your process monitoring and analysis.

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