Infometrix offers best-of-class service in calibrating NIR, IR or Raman instrument systems. We can generate the multivariate models for a new application, review existing calibrations, optimize models, and perform routine maintenance. Our team is led by Dr. Randy J. Pell, a 2-decade veteran of calibrating and maintaining process and lab spectroscopy systems worldwide at Dow Chemical; Randy literally wrote the book on this type of calibration work (Beebe, Kenneth R.; Pell, Randy J., and Seasholtz, Mary Beth. Chemometrics; a practical guide. New York: John Wiley & Sons, Inc.; 1998).
The approach we take for modeling spectroscopic systems covers the “six habits of an effective chemometrician” found in this book. This has been proven to be the most effective outline to follow when the purpose is to develop and maintain reliable models. The steps are:
- Examine the data (to look for errors, appropriateness of the analytical method);
- Preprocess as needed (to remove confounding sources of variation);
- Estimate the model ( first pass to identify outliers and determine the modeling feasibility);
- Examine the results and validate the model (building models is simple – here is where the work is critical);
- Use the model (including integration into process flow or the instrument method); and
- Validate the predictions (all soft models will require maintenance at some point).