Technology Summary

The Analyze IQ software suitehas been designed to address the need for accurate analysis of spectroscopic data in complex, real-world situations. It is used with  all forms of spectral data, including data from spectroscopic techniques such as infra-red (IR), near infra-red (NIR), Fourier transform IR (FT-IR), Raman, x-ray fluorescence (XRF), Mass Spectrometry, LIBS, SERS, and others.

The product suite includes:

• Analyze IQ Lab, a stand alone software package aimed at scientists/engineers for lab-based analysis of spectra using machine learning models, that allows examination of spectra, visualisation of results and generation of new analytical models.
• Analyze IQ Spectra Manager, a spectral database package that allows users to easily manage a library of spectra.
• Analyze IQ Raman Library, a carefully-curated library of approximately 2000 Raman spectra, including the exact composition of each material and all associated data.
• Analyze IQ Predictor , our product to enable chemometric models from Analyze IQ Lab to be integrated in third party products, for fully automatic, fast, and accurate spectral data analysis.
• Services: The software suite forms a platform for the company’s other services, including producing bespoke models for specific applications, and developing customized software solutions for vertical markets.

Technology Solutions

For a wide range of real-world applications, it is essential to be able to assess mixtures accurately:

• Pharmaceutical: Analyze IQ is applicable in a diverse range of analytical area from raw materials quality control (QC), formulation QC, tablet production, polymorph analysis, and characterisation of hazardous materials.
• Process Analytical Technologies: Analyze IQ can be used for quality control in process monitoring, and for monitoring of waste streams.
• Forensics: Drug concentration is useful intelligence that indicates where on the ‘supply chain’ a narcotics seizure has originated. By being able to identify the diluting agents, more intelligence can be provided to law enforcement agencies.
• First Responders: Analyze IQ can aid the identification of household poisons, unlabelled medicines, and hazardous materials, in combination with portable instrumentation.
• Environmental: Raman instruments, in conjunction with Analyze IQ, can be used to identify unknown chemicals and other materials, and determine the concentrations of components.

Analytical Methods

• Principal Component Regression
• k-Nearest Neighbor Classification & Regression
• Support Vector Machines with standard kernels: Euclidian, RBF, and Sigmoid
• Support Vector Machines with our proprietary Spectral Kernels
  
• Our unique Spectral Attribute Voting
• Preprocessing methods include: Data smoothing; Derivatives using Savitzky-Golay method; Normalization; Standard Normal Variate Transformation; Equal Area Scaling; Truncation with Crop and Notch Options.

User Benefits

• More accurate analysis of complex spectra than standard chemometric methods.
• Unique features to enable analytical chemists to use advanced analytical techniques in their work while minimising risk of errors, such as automatically applying appropriate pre-processing steps when analysing a spectrum with a model, and its step-by-step model-building wizard.
• Improved data exploration for analysts, as it provides visual insight into classification results.
• Can operate as a stand-alone spectral analysis package or can be embedded into existing commercial instrument software or analysis software packages.
• Model-based approach has very low CPU and memory requirements relative to direct data matching, making it particularly suitable for use on portable Raman systems, for non-specialists from law enforcement, environmental protection and emergency services operating in the field.