1. Lumex Instruments Group ISO 9001:2008www.lumex.biz PARCEL software as an instrument for InfraLUM type spectrometers calibration www.lumex.biz LUMEX GROUP OF COMPANIES Sushkova M.V., Zharinov K.A.

2. Lumex Instruments Group ISO 9001:2008www.lumex.biz Purpose of PARCEL software

3. Lumex Instruments Group ISO 9001:2008www.lumex.biz InfraLUM spectrometer NIR analyser Absorption spectra Data analyzed by PARCEL software

4. Lumex Instruments Group ISO 9001:2008www.lumex.biz Data analyzed by PARCEL software Agricultural industry: crops Wheat Barley Rye Oats Soya Corn Combined Grain (Wheat, Barley, Rye) Properties: Protein Moisture Oil Starch Gluten Ash Fiber Hardness Sedimentation value

5. Lumex Instruments Group ISO 9001:2008www.lumex.biz Calibration model Where: X T – actually measured values, Y – determined (unknown) properties of the object, P – matrix of calibration coefficients, E – matrix of errors. Calibration model

6. Lumex Instruments Group ISO 9001:2008www.lumex.biz How does the PARCEL software work

7. Lumex Instruments Group ISO 9001:2008www.lumex.biz Evaluation criteria Scores and Loadings, RMSEC RMSECV RMSEP R 2 Stability criterion F Student's t distribution Mahalanobis distance Evaluation criteria for models:

8. Lumex Instruments Group ISO 9001:2008www.lumex.biz Evaluation of model Visual evaluation (Graphs):

9. Lumex Instruments Group ISO 9001:2008www.lumex.biz Evaluation of model Visual evaluation (Table):

10. Lumex Instruments Group ISO 9001:2008www.lumex.biz Algorithms Algorithms: PCR PLS HQO

11. Lumex Instruments Group ISO 9001:2008www.lumex.biz Number of Principal Components Principal components

12. Lumex Instruments Group ISO 9001:2008www.lumex.biz Boundary values and preprocessing Preprocessing Spectral range Spectral points (removing)

13. Lumex Instruments Group ISO 9001:2008www.lumex.biz Feature of PARCEL software The feature of the PARCEL software: program is adapted under the routine analysis: options to to simplify the operator's work 3 ways to create the calibration model: 1.Enter specific model parameters (manual selection) 2.Optimization module (step-type optimization of parameters) 3.Optimization template (saved settings for each step)

14. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model Calibration model optimization

15. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model Calibration model optimization Spectra Spectral range Preprocessing Settings Criteria

16. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model Calibration model optimization step-type optimization of parameters Step1. Adjusting the search of limits of the spectral range

17. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model step-type optimization of parameters Step2. Adjusting the search of limits of the spectral range Calibration model optimization

18. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model Calibration model optimization Automatical model correction Analysis of the spectral points

19. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model Calibration model optimization Automatical model correction Analysis on outliers

20. Lumex Instruments Group ISO 9001:2008www.lumex.biz Optimization of calibration model

21. Lumex Instruments Group ISO 9001:2008www.lumex.biz Template creation Template can be created using step-type optimization In created template: settings for each step, criterion of selection of optimal models for each step

22. Lumex Instruments Group ISO 9001:2008www.lumex.biz www.lumex.biz LUMEX GROUP OF COMPANIES