parcel software as an instrument for infralum type spectrometers calibration
DESCRIPTION
LUMEX. GROUP OF COMPANIES. Sushkova M.V., Zharinov K.A. PARCEL software as an instrument for InfraLUM type spectrometers calibration. www.lumex.biz. Purpose of PARCEL software. Data analyzed by PARCEL software. InfraLUM spectrometer NIR analyser Absorption spectra. - PowerPoint PPT PresentationTRANSCRIPT
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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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Lumex Instruments Group
ISO 9001:2008
Purpose of PARCEL softwarePurpose of PARCEL software
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Lumex Instruments Group
ISO 9001:2008
InfraLUM spectrometer
• NIR analyser
• Absorption spectra
Data analyzed by PARCEL softwareData analyzed by PARCEL software
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Lumex Instruments Group
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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Lumex Instruments Group
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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Lumex Instruments Group
ISO 9001:2008
How does the PARCEL software workHow does the PARCEL software work
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Lumex Instruments Group
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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Lumex Instruments Group
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Evaluation of modelEvaluation of model
Visual evaluation (Graphs):
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Lumex Instruments Group
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Evaluation of modelEvaluation of model
Visual evaluation (Table):
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Lumex Instruments Group
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AlgorithmsAlgorithms
Algorithms:
•PCR
•PLS
•HQO
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Lumex Instruments Group
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Number of Principal ComponentsNumber of Principal Components
Principal components
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Lumex Instruments Group
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Boundary values and preprocessingBoundary values and preprocessing
•Preprocessing
•Spectral range
•Spectral points
(removing)
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Lumex Instruments Group
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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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
Calibration model optimization
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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
Calibration model optimization
•Spectra•Spectral range•Preprocessing•Settings•Criteria
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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
Calibration model optimization
step-type optimization of parameters
Step1. Adjusting the search of limits of the spectral range
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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
step-type optimization of parameters
Step2. Adjusting the search of limits of the spectral range
Calibration model optimization
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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
Calibration model optimization
Automatical model correction
Analysis of the spectral points
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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
Calibration model optimization
Automatical model correction
Analysis on outliers
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Lumex Instruments Group
ISO 9001:2008
Optimization of calibration modelOptimization of calibration model
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Lumex Instruments Group
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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Lumex Instruments Group
ISO 9001:2008
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