Spectroscopy and Chemometrics News Weekly #38, 2019

CalibrationModel.com

New: free NIR-Predictor V2.4 supports file formats out of the box from: @TIDLP @ViaviSolutions @OceanOpticsEMEA @my_scio @SiWareSystems @SpectralEngines @trinamiX_GmbH @StellarNet – Mobile NIRS portable NIR2019 NIR2020 Analyzers LINK

Spectroscopy and Chemometrics News Weekly 37, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 37, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 37, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week’s NIR news Weekly is sponsored by your-Company-Name-here – Best-NIR-instruments. Check out their product page … link




Chemometrics

“Potential biomonitoring of atmospheric carbon dioxide in Coffea arabica leaves using near-infrared spectroscopy and partial least squares discriminant analysis” LINK

“Quantitative Real-Time Release Testing of Rhubarb based on Near-Infrared Spectroscopy and Method Validation” LINK

“Identification of lactic acid bacteria Enterococcus and Lactococcus by near-infrared spectroscopy and multivariate classification” LINK

“Determination of manganese content in cottonseed meal using near-infrared spectrometry and multivariate calibration” LINK

“Advanced Modeling of Soil Biological Properties Using Visible Near Infrared Diffuse Reflectance Spectroscopy” |:ijbs1&volume=5&issue=1&article=001 LINK

“山茶油中油酸和亚油酸近红外光谱分析模型” “Analysis Model of Oleic and Linoleic Acids in Camellia Oilvia Near-Infrared Spectroscopy” LINK

“Determination of 10-Hydroxy-2-Decenoic Acid of Royal Jelly Using Near-Infrared Spectroscopy Combined with Chemometrics.” LINK

“Predicting of the Quality Attributes of Orange Fruit Using Hyperspectral Images” LINK

“Rapid and Automatic Classification of Tobacco Leaves Using a Hand-Held DLP-Based NIR Spectroscopy Device” LINK

“Association of mid-infrared-predicted milk and blood constituents with early-lactation disease, removal, and production outcomes in Holstein cows” |(19)30787-8/fulltext LINK

“Machine learning and soil sciences: A review aided by machine learning tools” LINK




Near Infrared

“Soil characterization using Visible Near Infrared Diffuse Reflectance Spectroscopy (VNIR DRS)” LINK

“Quantification of soil organic carbon stock in urban soils using visible and near infrared reflectance spectroscopy (VNIRS) in situ or in laboratory conditions” LINK

“Assessment of the human albumin in acid precipitation process using NIRS and multi-variable selection methods combined with SPA” LINK

” Implementación de estrategias de muestreo, inspección y control en la industria agroalimentaria basadas en el empleo automatizado de sensores nirs” LINK

“Determination of glucose concentration in aqueous solution using FT NIR spectroscopy” LINK

“Near infrared spectroscopy for world food security” LINK

“Titanium dioxide as an adsorbent to enhance the detection ability of near-infrared diffuse reflectance spectroscopy” LINK

“Near-infrared diffuse reflectance spectroscopy for discriminating fruit and vegetable products preserved in glass containers” LINK

“Ability of near-infrared spectroscopy for non-destructive detection of internal insect infestation in fruits: Meta-analysis of spectral ranges and optical measurement …” LINK

“Molecules, Vol. 24, Pages 3268: Near-Infrared Hyperspectral Imaging Combined with Deep Learning to Identify Cotton Seed Varieties” LINK

“Improvement of the Fourier Transform Near Infrared Method to Evaluate Extra Virgin Olive Oils by Analyzing 1,2-Diacylglycerols and 1,3-Diacylglycerols and Adding Unesterified Fatty Acids.” LINK




Agriculture

“51 Feedstuff fatty acid content, variation, techniques and implications on practical animal nutrition” LINK

“Prediction of Milk Coagulation Properties and Individual Cheese Yield in Sheep Using Partial Least Squares Regression” Animals LINK




Food & Feed

“Classifying the fertility of dairy cows using milk mid-infrared spectroscopy” LINK





Spectroscopy and Chemometrics News Weekly #37, 2019

CalibrationModel.com

The new Version V2.4 of the free NIR-Predictor supports multiple native file formats of miniature, mobile and desktop spectrometers get your spectra analyzed as easy as Drag’n’Drop. LINK

Spectroscopy and Chemometrics News Weekly 36, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 36, 2019 | NIRS NIR Spektroskopie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 36, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel LINK




Chemometrics

“Identification of Passion Fruit Oil Adulteration by Chemometric Analysis of FTIR Spectra” LINK

“Investigating the use of visible and near infrared spectroscopy to predict sensory and texture attributes of beef M.longissimus thoracis et lumborum.” LINK

“Optimized prediction of sugar content in ‘Snow’ pear using near-infrared diffuse reflectance spectroscopy combined with chemometrics” LINK

“FT-NIR spectroscopy and multivariate classification strategies for the postharvest quality of green-fleshed kiwifruit varieties” FTNIR LINK

“An Approach to Rapid Determination of Tween-80 for the Quality Control of Traditional Chinese Medicine Injection by Partial Least Squares Regression in Near-Infrared Spectral Modeling” LINK

“Assessing macro-element content in vine leaves and grape berries of vitis vinifera by using near-infrared spectroscopy and chemometrics” LINK

“Investigating the use of visible and near infrared spectroscopy to predict sensory and texture attributes of beef M. longissimus thoracis et lumborum” LINK

“Rapid classification of commercial Cheddar cheeses from different brands using PLSDA, LDA and SPA-LDA models built by hyperspectral data” LINK




Near Infrared

“A Comparison of Sparse Partial Least Squares and Elastic Net in Wavelength Selection on NIR Spectroscopy Data.” LINK

“Reliability of NIRS portable device for measuring intercostal muscles oxygenation during exercise” LINK

“Ability of near-infrared spectroscopy for non-destructive detection of internal insect infestation in fruits: Meta-analysis of spectral ranges and optical measurement modes.” LINK

“Analysis of the Acid Detergent Fibre Content in Turnip Greens and Turnip Tops (Brassica rapa L. Subsp. rapa) by Means of Near-Infrared Reflectance.” LINK

“Lipid-Core Plaque Assessed by Near-Infrared Spectroscopy and Procedure Related Microvascular Injury.” LINK

“Analysis of the Acid Detergent Fibre Content in Turnip Greens and Turnip Tops (Brassica rapa L. Subsp. rapa) by Means of Near-Infrared Reflectance” Foods LINK

“Online monitoring of multiple component parameters during ethanol fermentation by near-infrared spectroscopy.” LINK




Hyperspectral

“Identifying Freshness of Spinach Leaves Stored at Different Temperatures Using Hyperspectral Imaging.” LINK

“Identifying Freshness of Spinach Leaves Stored at Different Temperatures Using Hyperspectral Imaging” Foods LINK




Equipment

“Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceumL.” LINK




Agriculture

“Use of near-infrared spectroscopy for the rapid evaluation of soybean [Glycine max (L.) Merri.] water soluble protein content.” LINK




Food & Feed

“Rapid visible-near infrared (Vis-NIR) spectroscopic detection and quantification of unripe banana flour adulteration with wheat flour” LINK





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Spectroscopy and Chemometrics News Weekly #34, 2019

CalibrationModel.com

Develop customized NIR applications and freeing up hours of spectroscopy analysts time. chemometric software LINK

Spectroscopy and Chemometrics News Weekly 33, 2019 | NIRS NIR Spectrometer Analytical Chemistry Chemical Analysis Lab Labs Laboratories QAQC Testing Quality LabManager LabManagers laboratory digitalization labdata laboratorydata LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 33, 2019 | NIRS NIR FTNIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysemethode Laborleiter Laboranalyse Qualitätskontrolle LINK

Spettroscopia e Chemiometria Weekly News 33, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità prediction controllo qualità LINK




Chemometrics

“A Spectral Fitting Algorithm to Retrieve the Fluorescence Spectrum from Canopy Radiance” Remote Sensing RemoteSensing LINK

“A hyperspectral GA-PLSR model for prediction of pine wilt disease” LINK

“Hyperspectral Anomaly Detection via Convolutional Neural Network and Low Rank With Density-Based Clustering” LINK

“Use of near-infrared hyperspectral (NIR-HS) imaging to visualize and model the maturity of long-ripening hard cheeses” LINK

“Identification of lactic acid bacteria Enterococcus and Lactococcus by near-infrared spectroscopy and multivariate classification.” LINK

“A practical convolutional neural network model for discriminating Raman spectra of human and animal blood” LINK

“Non-destructive prediction of texture of frozen/thaw raw beef by Raman spectroscopy” LINK

“Incorporating brand variability into classification of edible oils by Raman spectroscopy” LINK

“Three-way data splits (training, test and validation) for model selection and performance estimation” LINK

“Importance of spatial predictor variable selection in machine learning applications — Moving from data reproduction to spatial prediction.” LINK

“Tracing the dune activation of Badain Jaran Desert and Tengger Desert by using near infrared spectroscopy and chemometrics” LINK




Near Infrared

“On-The-Go VIS + SW – NIR Spectroscopy as a Reliable Monitoring Tool for Grape Composition within the Vineyard.” LINK

“Improved Functional Near Infrared Spectroscopy Enables Enhanced Brain Imaging” fNIR FDNIR LINK

“Estabilishing A Calibration For Neutral Detergent Fiber (NDF) Value by Using Near Infrared Spectroscopy (NIR) in Corn Grain” LINK

“Using Near Infrared Spectroscopy and Machine Learning to diagnose Systemic Sclerosis.” LINK

“Strategies for the efficient estimation of soil organic carbon at the field scale with vis-NIR spectroscopy: Spectral libraries and spiking vs. local calibrations” LINK

“Sensomics-from conventional to functional NIR spectroscopy-shining light over the aroma and taste of foods” LINK




Infrared

“Assessment of Spinal Cord Ischemia With Near-Infrared Spectroscopy: Myth or Reality?” LINK

“Identification of antibiotic mycelia residues in cottonseed meal using Fourier transform near-infrared microspectroscopic imaging.” LINK

“Application of near-infrared spectroscopy for frozen-thawed characterization of cuttlefish (Sepia officinalis)” Aquaphotomics LINK

” Identification of Tilletia foetida, Ustilago tritici, and Urocystis tritici Based on Near-Infrared Spectroscopy” LINK

“Assessment of meat freshness and spoilage detection utilizing visible to near-infrared spectroscopy” LINK




Hyperspectral

“Estimating the severity of apple mosaic disease with hyperspectral images” LINK

“Spectral filter design based on in-field hyperspectral imaging and machine learning for mango ripeness estimation” LINK




Equipment

“Feasibility Study of the Use of Handheld NIR Spectrometer for Simultaneous Authentication and Quantification of Quality Parameters in Intact Pineapple Fruits” LINK




Agriculture

“Evidence on the discrimination of quinoa grains with a combination of FT-MIR and FT-NIR spectroscopy” FTNIR FTMIR LINK




Forestry

“Near-infrared spectroscopy analysis-a useful tool to detect apple proliferation diseased trees?”LINK

“Evaluation of near infrared spectroscopy to non-destructively measure growth strain in trees” LINK




Other

“Spectral Screening Based on Comprehensive Similarity and Support Vector Machine” LINK

“Aquaphotomics-From Innovative Knowledge to Integrative Platform in Science and Technology.” LINK





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NIR-Predictor Software

NIR-Predictor

New: NIR-Predictor V2.4 with new features

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Key Features of NIR-Predictor

  • Super flexible prediction with automatic file format detection
  • Support for many mobile and desktop NIR Spectrometers file format
  • Application concept allows to group multiple Calibrations together for an Application
  • Prediction Report shows Histogram Charts of the tabulated prediction results
  • Sample based Properties File Creator for combining NIR and Lab reference data
  • Checked creation of a single file Calibration Request

Super flexible prediction

Loads multiple files at once in

  • different file-formats and …
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With no configuration and no special menu command,
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Videos


Properties File Creator

A tool for the NIR-User to create the property file easily. It helps to create a CSV file from the measured spectra files with sample names and properties to edit in Spreadsheet/EXCEL software. Lets you enter Lab-Reference-Values in a sample-based manner, corresponding to your sample spectra for calibration. It contains clever automatic analysis mechanisms of inconsistencies in your raw-data to increase the data quality for calibration. Provides detailed analyzer information for manual data cleanup when needed.

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    • limited and error prone table grid functionality

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About the included Demo-Spectra and Demo-Calibrations

The demo calibrations for the spectrometers from

  • Si-Ware Systems
  • Spectral Engines
  • Texas Instruments
  • VIAVI

are built with the raw data, thankfully provided from Prof. Heinz W Siesler, from this publication

“Hand-held near-infrared spectrometers:
State-of-the-art instrumentation and practical applications”
Hui Yan, Heinz W Siesler
First Published August 20, 2018 Research Article
https://doi.org/10.1177/0960336018796391

The demo calibrations for the FOSS are built with the

ANSIG Kaji Competition 2014 shootout data
http://www.anisg.com.au/the-kaji-competition


References

Quickstart: NIR-Predictor – Manual

Features and Version History: NIR-Predictor – Release Notes History

Supported NIR Spectra Formats: NIR-Predictor supported Spectral Data File Formats

Frequently Asked Questions: NIR-Predictor – FAQ

WebShop : CalibrationModel WebShop