Ai-Metrix: Automate Optical Calibrations

Sharpen, Standardize, and Streamline Calibrations

A database solution to ease and automate processing and maintaining of fragmented data, allowing for better chemometrics, more experimentation, more frequent model updates, and optimize use of personnel.

 

Built on the amalgamation of experience from 15 refinery optimizations and a lot of R&D effort over the last 5 years, the whole process of Ai-Metrix is designed to take less than one hour, including transit time. Ai-Metrix uses an evaluative process that provides a database with search and matching capability and a dashboard interface allowing a user to visualize trends and comparisons of the data through a graphical output; the matching of such data being essential to calibration studies and future predictive models used in laboratory and process environments. Additionally, Ai-Metrix can provide calibration modeling and prediction capabilities in routine and automated situations with little or no human interaction. A service component is also available in Ai-Metrix, in which Infometrix staff develop, review, implement and maintain calibration services for the end user. Read about the process below or view in Ai-Metrix Overview Slides in pdf format.

Benefits of Ai-Metrix

  • Lowers cost, speeds response time
  • Scales up easily, expands easily
  • Ensures a common baseline for calibration quality
  • Allows comparison across locations, facilitates networking
  • Enables continuity in the face of personnel changes
  • A simplified approach to assembling lab values and spectra into a common database.
  • Long-term management both of these data and the chemometric models generated in a browser-based, customizable, interactive set of visualizations.
  • An objective and automatable procedure for selecting the samples that would be best for the calibration.
  • Automated guidance on how many factors to include in the model.
  • An automated mechanism for determining that a calibration requires updating and a more objective way to do those updates.
  • A universal system that is completely independent of ANY manufacturer of spectroscopy gear and will support ALL legacy software.
  • The result insures uniform quality models across the organization.

Chemometric Modeling

Calibrate-Model ConstructionThis is the baseline Infometrix service and ensures a best-practices approach to model development. Models should be reviewed and a dashboard is supplied to facilitate. Infometrix can also translate models into any format as required. Prediction Quality and Model Maintenance AuditBecause all models are maintained by the database, prediction quality can be tracked over time using the dashboard.

Data Organization

The service includes customized graphical displays that allows the user to spot inconsistencies and plot trends for any range of dates.

Data Organization and Graphical Display

AiMetrix Routine Data Assembly

Ai-Metrix Overview/Routine Data Assembly

  • The user dumps data into a file folder on their desktop
  • Data is loaded into a database which matches values to spectra

then minutes later

  • The database drives output to a custom on-line dashboard which allows evaluation and interaction by the user

 

Model Request

The request is made through an Excel workbook that is prepopulated with customer-specific properties, categories, and date ranges which formats the request into a file that is immediately processed. The resulting models are automatically delivered to the desktop. The AI system picks up the request for models and sets a multi-step process in motion:

  • A 3-step Robust outlier identification mechanism trims the spectra/reference pairs to eliminate samples that would degrade the model
  • A 2-step PLS modeling process identifies the optimum number of factors
  • A Pirouette file with all the data plus an exclusion set with only the samples and variables used to generate the model is created
  • A Pirouette model that can be used for routine QC assessments, plus any supported non-Infometrix model file as specified by the user, OR the files necessary for the user to build the model in any chemometrics software is also created.

Model Request through Excel

Model Quality Control

Models can be built for any property and any subset managed by the database. These data are trimmed of outliers, a PLS model is constructed, and the number of factors is set according to Infometrix best practices. The models are delivered to the customer computer within minutes. Model visualization and performance over time is available on an instrument-specific Tableau dashboard.

Model Quality

Comparison of Validation Errors

Model Construction Creates Report

More than 70 diagnostics are computed and used in the assessment of model quality. The visualization is easily customized.

Tracking Model Performance Through Time

Model diagnostics are added to the database and the on-line interactive dashboard is automatically updated to display current model quality and compares to all prior models and, in some cases, compares to industry standards.

Base Service

The base service is designed to handle up to 20 properties per prediction, but any number of models can be created and maintained. We consider these to be preliminary models, but can serve as a baseline for any optimization that the user may do. A one-time setup cost and monthly fee applies.

 

Contact us now for more information, WebEx presentation of the process or a quote.


Infometrix, Inc. • 11807 N Creek Pkwy S • Suite B-111 • Bothell, WA • 98011 • tel: 425-402-1450 • fax: 425-402-1040 • info@infometrix.com