Lumex Instruments Group ISO 9001:2008 PARCEL software as an instrument for InfraLUM type...
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Transcript of 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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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
ISO 9001:2008
Evaluation of modelEvaluation of model
Visual evaluation (Graphs):
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Lumex Instruments Group
ISO 9001:2008
Evaluation of modelEvaluation of model
Visual evaluation (Table):
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Lumex Instruments Group
ISO 9001:2008
AlgorithmsAlgorithms
Algorithms:
•PCR
•PLS
•HQO
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Lumex Instruments Group
ISO 9001:2008
Number of Principal ComponentsNumber of Principal Components
Principal components
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Lumex Instruments Group
ISO 9001:2008
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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LUMEXLUMEXGROUP OF COMPANIES GROUP OF COMPANIES