Calibration Transfer and Instrument Standardization

Course Description

Calibration Transfer and Instrument Standardization address the problems involved when one attempts to use two different instruments for the same analysis, or the same instrument over a long period. Differences between instruments, even instruments that are nominally the same, often make it impossible to construct a single calibration model without producing biased results on one instrument or the other. Also, single instruments often drift over time, eventually making calibration models obsolete. concernstrates on what is perhaps the most important chemometric method, Principal Components Analysis. This course covers methods that can be used to correct for instrument differences so that calibration models can be used across multiple instruments and over long periods of time. The course includes hands-on computer time for participants to work example problems using PLS_Toolbox.

Prerequisites

Linear Algebra for Chemometricians and MATLAB for Chemometricians or equivalent experience.

Course Outline

  1. The Calibration Transfer and Standardization Problem
  2. Preprocessing to Achieve Standardization
    Baselining
    Use of derivatives
    Multiplicative Scatter Correction (MSC)
  3. Selection of Transfer Samples 
  4. Standardization/Calibration Transfer Methods
    Generalized Least Squares Preprocessing (GLS)
    Piecewise Direct Standardization (PDS)
    Direct Standardization
    Variations on PDS
    Prediction Augmented CLS
  5. Comparison of Methods on a Number of Data Sets
  6. Conclusions
  7. Additional examples and homework