Lumex Instruments Group ISO 9001:2008www.lumex.biz PARCEL software as an instrument for InfraLUM type spectrometers calibration www.lumex.biz LUMEX GROUP.

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

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

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

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

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

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

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:

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

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

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

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

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

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)

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

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

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

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

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

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

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

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

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