Lumex Instruments Group ISO 9001:2008 PARCEL software as an instrument for InfraLUM type...

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Lumex Instruments Group

ISO 9001:2008

PARCEL software as an instrument for PARCEL software as an instrument for InfraLUM type spectrometers calibrationInfraLUM type spectrometers calibration

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LUMEXLUMEXGROUP OF COMPANIES GROUP OF COMPANIES

Sushkova M.V., Zharinov K.A.

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ISO 9001:2008

Purpose of PARCEL softwarePurpose of PARCEL software

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ISO 9001:2008

InfraLUM spectrometer

• NIR analyser

• Absorption spectra

Data analyzed by PARCEL softwareData analyzed by PARCEL software

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ISO 9001:2008

Data analyzed by PARCEL softwareData 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

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ISO 9001:2008

Calibration modelCalibration model

Where:

XT – actually measured values,

Y – determined (unknown) properties of the object,

P – matrix of calibration coefficients,

E – matrix of errors.

Calibration model

TY = X P +E

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ISO 9001:2008

How does the PARCEL software workHow does the PARCEL software work

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ISO 9001:2008

Evaluation criteriaEvaluation criteria

•Scores and Loadings,

•RMSEC

•RMSECV

•RMSEP

•R2

•Stability criterion F

•Student's t distribution

•Mahalanobis distance

Evaluation criteria for models:

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ISO 9001:2008

Evaluation of modelEvaluation of model

Visual evaluation (Graphs):

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ISO 9001:2008

Evaluation of modelEvaluation of model

Visual evaluation (Table):

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ISO 9001:2008

AlgorithmsAlgorithms

Algorithms:

•PCR

•PLS

•HQO

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ISO 9001:2008

Number of Principal ComponentsNumber of Principal Components

Principal components

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ISO 9001:2008

Boundary values and preprocessingBoundary values and preprocessing

•Preprocessing

•Spectral range

•Spectral points

(removing)

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ISO 9001:2008

Feature of PARCEL softwareFeature 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)

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ISO 9001:2008

Optimization of calibration modelOptimization of calibration model

Calibration model optimization

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ISO 9001:2008



•Spectra•Spectral range•Preprocessing•Settings•Criteria

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ISO 9001:2008



step-type optimization of parameters

Step1. Adjusting the search of limits of the spectral range

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ISO 9001:2008


step-type optimization of parameters

Step2. Adjusting the search of limits of the spectral range


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ISO 9001:2008



Automatical model correction

Analysis of the spectral points

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ISO 9001:2008



Automatical model correction

Analysis on outliers

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ISO 9001:2008


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ISO 9001:2008

Template creationTemplate 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

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ISO 9001:2008

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LUMEXLUMEXGROUP OF COMPANIES GROUP OF COMPANIES

Lumex Instruments Group ISO 9001:2008 PARCEL software as an instrument for InfraLUM type...

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