Spectroscopy and Chemometrics News Weekly #28, 2020Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #28, 2020Spettroscopia e Chemiometria Weekly News #28, 2020

NIR Calibration-Model Services

Services for professional Development of Near-Infra-Red Spectroscopy Calibration Methods | NIRS Lab testing method food LINK

Spectroscopy and Chemometrics News Weekly 27, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Analytical Chemistry ag Food Dairy Analysis Lab Labs Laboratories Laboratory IoT Sensors QA QC material testing quality safety LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 27, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 27, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

"NEAR-INFRARED SPECTROSCOPY AS A RAPID AND SIMULTANEOUS ASSESSMENT OF AGRICULTURAL GROUNDWATER QUALITY PARAMETERS / NEAR INFRARED SPECTROSCOPY SEBAGAI METODE CEPAT DAN SIMULTAN UNTUK PREDIKSI KUALITAS AIR TANAH LAHAN PERTANIAN" LINK

"How well can near infrared reflectance spectroscopy (NIRS) measure sediment organic matter in multiple lakes?" LINK

"Assessment of Embryonic Bioactivity through Changes in the Water Structure Using Near-Infrared Spectroscopy and Imaging" LINK

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

"Applied Sciences, Vol. 10, Pages 3722: FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in Cucurbita Spp." LINK

"At-line Prediction of Gelatinized Starch and Fiber Fractions in Extruded Dry Dog Food Using Different Near-Infrared Spectroscopy Technologies" LINK

"Near-infrared Prediction of Edible Oil Frying Times Based on Bayesian Ridge Regression" LINK

"Estimating wood moisture by near infrared spectroscopy: Testing acquisition methods and wood surfaces qualities" LINK

Chemometrics and Machine Learning

"Determination of Loline Alkaloids and Mycelial Biomass in Endophyte-Infected Schedonorus Pratensis by Near-Infrared Spectroscopy and Chemometrics" LINK

"Quantification of extra virgin olive oil adulteration using smartphone videos." LINK

"Discrimination of legal and illegal Cannabis spp . according to European legislation using near infrared spectroscopy and chemometrics" LINK

"A comparison of chemometrics classification tools for identification of perirenal fat in lambs." LINK

"Simultaneous Quantitative Analysis of K + and Tl + in Serum and Drinking Water Based on UV-Vis Spectra and Chemometrics" LINK

"Combination of spectra and texture data of hyperspectral imaging for prediction and visualization of palmitic acid and oleic acid contents in lamb meat" LINK

"NIR hyperspectral imaging coupled with chemometrics for nondestructive assessment of phosphorus and potassium contents in tea leaves" LINK

"Non-destructive genotypes classification and oil content prediction using near-infrared spectroscopy and chemometric tools in soybean breeding program" LINK

"Predicting milk mid-infrared spectra from first-parity Holstein cows using a test-day mixed model with the perspective of herd management" LINK

Research on Spectroscopy

"An efficient method to quantitatively detect competitive adsorption of DNA on single-walled carbon nanotube surfaces" LINK

Equipment for Spectroscopy

"Determination of Ethanol in Alcoholic Drinks: Flow Injection Analysis with Amperometric Detection Versus Portable Raman Spectrometer" LINK

"Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer Under ModulatedPulsed Light Source Excitation" LINK

"Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers" LINK

Agriculture NIR-Spectroscopy Usage

"Fermentation, Vol. 6, Pages 56: Beer Aroma and Quality Traits Assessment Using Artificial Intelligence" LINK

"Optimization of modeling conditions for near infrared measurement of protein content in milk by orthogonal array design." LINK

"Soil organic matter in various land uses and management, and its accuracy measurement using near infrared technology" LINK

"Lettuce plant health assessment using UAV-based hyperspectral sensor and proximal sensors" LINK

"Effects of planting density on nutritive value, dry matter yield, and predicted milk yield of dairy cows from 2 brown midrib forage sorghum hybrids" LINK

Horticulture NIR-Spectroscopy Applications

"Non-Destructive Detection of Strawberry Quality Using Multi-Features of Hyperspectral Imaging and Multivariate Methods" LINK

"A simple and nondestructive approach for the analysis of soluble solid content in citrus by using portable visible to near-infrared spectroscopy." LINK

Food & Feed Industry NIR Usage

"Hyperspectral monitor on chlorophyll density in winter wheat (Triticum aestivum L.) under water stress" LINK

"Assessment of Biochemical and Seed Quality Traits in Hulless Barley Germplasm" LINK

Beverage and Drink Industry NIR Usage

"Online determination of coffee roast degree toward controlling acidity" LINK

Other

"Improvement on curing performance and morphology of E5I/TPGDA mixture in a free radical-cationic hybrid photopolymerization system" LINK

"Color analysis and detection of Fe minerals in multi-mineral mixtures from acid-alteration environments" LINK

"Growth and maturity of Longnose Skates (Raja rhina) along the North American West Coast" LINK

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NIR Calibration-Model Services

Near-Infrared Spectroscopy (NIRS)

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

Chemometrics and Machine Learning

Research on Spectroscopy

"An efficient method to quantitatively detect competitive adsorption of DNA on single-walled carbon nanotube surfaces" LINK

Equipment for Spectroscopy

Agriculture NIR-Spectroscopy Usage

Horticulture NIR-Spectroscopy Applications

Food & Feed Industry NIR Usage

Beverage and Drink Industry NIR Usage

"Online determination of coffee roast degree toward controlling acidity" LINK

Other

.

NIR Calibration-Model Services

Near-Infrared Spectroscopy (NIRS)

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

Chemometrics and Machine Learning

Research on Spectroscopy

"An efficient method to quantitatively detect competitive adsorption of DNA on single-walled carbon nanotube surfaces" LINK

Equipment for Spectroscopy

Agriculture NIR-Spectroscopy Usage

Horticulture NIR-Spectroscopy Applications

Food & Feed Industry NIR Usage

Beverage and Drink Industry NIR Usage

"Online determination of coffee roast degree toward controlling acidity" LINK

Other

.

June 22, 2020

Spectroscopy and Chemometrics News Weekly #25, 2020Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #25, 2020Spettroscopia e Chemiometria Weekly News #25, 2020

NIR Calibration-Model Services

Using cost saving NIR-Spectroscopy Analysis? You can Save even more Costs and Time! How? Read here | VIS NIR NIRS Spectroscopy LabManager Labs QualityControl CostSaving foodindustry foodproduct Spectrometer Sensor Analytics LINK

Machine Learning for NIR Spectroscopy as a Service, a Game Changer for Productivity and Accuracy/Precision! Use the free NIR-Predcitor software to combine NIRS + Lab data and send your Calibration Request. LabManager Analysis MachineLearning LINK

Spectroscopy and Chemometrics News Weekly 24, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 24, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 24, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

This week's NIR news Weekly is sponsored by Your-Company-Name-Here - NIR-spectrometers. Check out their product page ... link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.

Near-Infrared Spectroscopy (NIRS)

"Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species" LINK

"Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy" LINK

"Handheld Near-Infrared Spectrometers: Reality and Empty Promises" miniaturization NIRS FTNIR MEMS MOEMS LVFs LINK

BESTCentreLTU research hot off the press: | In collaboration with Assoc. Prof. Kellie Tuck from , we’ve developed new near-infrared emissive electrochemiluminophores for sensing in NIR transparent biological media. LINK

"Near-Infrared Emitter for Bioanalytical Applications" NIR ECL electrochemiluminescence LINK

"Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process" LINK

"New applications of visnir spectroscopy for the prediction of soil properties" LINK

"Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …" LINK

"Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis." LINK

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

"Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning" LINK

"Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy" LINK

"Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy" LINK

"THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE'S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY" LINK

"Detection of melamine and sucrose as adulterants in milk powder using near-infrared spectroscopy with DD-SIMCA as one-class classifier and MCR-ALS as a means to provide pure profiles of milk and of both adulterants with forensic evidence" LINK

"Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)" LINK

"Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy" LINK

"ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor" LINK

"Should the Past Define the Future of Interpretation of Infrared and Raman Spectra?" LINK

"Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating." LINK

"Continuously measurement of the dry matter content using near-infrared spectroscopy" LINK

"Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method." LINK

"A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy." LINK

Hyperspectral Imaging (HSI)

"Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging" LINK

"Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms" LINK

"A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves" LINK

"Deep learning applied to hyperspectral endoscopy for online spectral classification" DOI:10.1038/s41598-020-60574-6 LINK

"Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques" LINK

Chemometrics and Machine Learning

"Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils" LINK

"Comprehensive Chemometrics - Chemical and Biochemical Data Analysis Reference Work • 2nd Edition • 2020" | books Chemometrics DataAnalysis Chemical Biochemical LINK

"Identification of invisible biological traces in forensic evidences by hyperspectral NIR imaging combined with chemometrics" LINK

Research on Spectroscopy

"Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel" LINK

"Plenary Lecture Methods and Tools for Sensors Information Processing" LINK

Equipment for Spectroscopy

Using NIR scanner to assess grass in sward for composition prior to baling and wrapping for EU LIFE Farm4More project. Thanks to Dinamica Generale for providing the equipment LINK

"Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods" LINK

"Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning …" LINK

Agriculture NIR-Spectroscopy Usage

"Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China" LINK

"Placing Soil Information in the Hands of Farmers" LINK

"Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil" LINK

"Complex Food Recognition using Hyper-Spectral Imagery" LINK

Horticulture NIR-Spectroscopy Applications

" The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures" LINK

Laboratory and NIR-Spectroscopy

"The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement" LINK

Other

LINK

NIR Calibration-Model Services

Near-Infrared Spectroscopy (NIRS)

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

Hyperspectral Imaging (HSI)

Chemometrics and Machine Learning

Research on Spectroscopy

"Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel" LINK

"Plenary Lecture Methods and Tools for Sensors Information Processing" LINK

Equipment for Spectroscopy

Agriculture NIR-Spectroscopy Usage

Horticulture NIR-Spectroscopy Applications

" The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures" LINK

Laboratory and NIR-Spectroscopy

"The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement" LINK

Other

LINK

NIR Calibration-Model Services

Near-Infrared Spectroscopy (NIRS)

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

Hyperspectral Imaging (HSI)

Chemometrics and Machine Learning

Research on Spectroscopy

"Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel" LINK

"Plenary Lecture Methods and Tools for Sensors Information Processing" LINK

Equipment for Spectroscopy

Agriculture NIR-Spectroscopy Usage

Horticulture NIR-Spectroscopy Applications

" The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures" LINK

Laboratory and NIR-Spectroscopy

"The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement" LINK

Other

LINK

June 15, 2020

Spectroscopy and Chemometrics News Weekly #24, 2020Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #24, 2020Spettroscopia e Chemiometria Weekly News #24, 2020

NIR Calibration-Model Services

Machine Learning for NIR Spectroscopy as a Service, a Game Changer for Productivity and Accuracy/Precision! Use the free NIR-Predcitor software to combine NIRS + Lab data and send your Calibration Request. LabManager Analysis MachineLearning LINK

"Food quality digitized at the "speed of light" " : Food Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Spectroscopy and Chemometrics News Weekly 23, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 23, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 23, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near-Infrared Spectroscopy (NIRS)

"Fiber Content Determination of Linen/Viscose Blends Using NIR Spectroscopy" LINK

"Characterization of a high power time-domain NIRS device: towards faster and deeper investigation of biological tissues" LINK

"… chamosite from an hydrothermalized oolitic ironstone (Saint-Aubin-des-Châteaux, Armorican Massif, France): crystal chemistry, Vis-NIR spectroscopy (red variety) and …" LINK

"Study on evolution methods for the optimization of machine learning models based on FT-NIR spectroscopy" LINK

"Vibrational coupling to hydration shell - Mechanism to performance enhancement of qualitative analysis in NIR spectroscopy of carbohydrates in aqueous environment." LINK

" RAPID EVALUATION OF DRY WHITE KIDNEY BEANS COOKING CHARACTERISTICS BY NEAR-INFRARED (NIR) SPECTROSCOPY" LINK

For food analysts, how to choose between a ‘classic’ method and a ‘modern’ technique such as FT-NIR or RMN? Our recently available paper tries to answer that question based on error evaluation: LINK

"FT-NIR combined with chemometrics versus classic chemical methods as accredited analytical support for decision-making: application to chemical compositional compliance of feedingstuffs" LINK

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

"Functional Classification of Feed Items in Pampa Grassland, Based on Their Near-Infrared Spectrum" LINK

"A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy" LINK

"Near-infrared spectroscopy as a new method for post-harvest monitoring of white truffles" LINK

"Rapid Prediction of Apparent Amylose, Total Starch, and Crude Protein by Near‐Infrared Reflectance Spectroscopy for Foxtail Millet (Setaria italica)" LINK

"New Induced Mutation Genetic Algorithm for Spectral Variables Selection in Near Infrared Spectroscopy" LINK

"Quantification of Plant Root Species Composition in Peatlands Using FTIR Spectroscopy" LINK

"Functional classification of feed items in pampa grassland, based on their near-infrared spectrum" LINK

"A feasibility of nondestructive rapid detection of total volatile basic nitrogen content in frozen pork based on portable near-infrared spectroscopy" LINK

" Machine Learning Classification of Articular Cartilage Integrity Using Near Infrared Spectroscopy" LINK

"Has the time come to use near-infrared spectroscopy in your science classroom?" LINK

"Feasibility of using near-infrared measurements to detect changes in water quality" LINK

"A novel CC-tSNE-SVR model for rapid determination of diesel fuel quality by near infrared spectroscopy" LINK

"Optimizing analysis of coal property using laser-induced breakdown and near-infrared reflectance spectroscopies" LINK

"Probing Active Sites and Reaction Intermediates of Electrocatalysis Through Confocal Near-Infrared Photoluminescence Spectroscopy: A Perspective." LINK

"Determination of in situ ruminal degradation of phytate phosphorus from single and compound feeds in dairy cows using chemical analysis and near-infrared spectroscopy" LINK

"Non-destructive assessment of moisture content and modulus of rupture of sawn timber Hevea wood using near infrared spectroscopy technique" LINK

"Accurate prediction of glucose concentration and identification of major contributing features from hardly distinguishable near-infrared spectroscopy" LINK

" Multiblock PLS-DA on fecal and plasma visible-near-infrared spectra for discriminating young bulls according to their efficiency. Preliminary results" LINK

"Examining the Utility of Visible Near-Infrared and Optical Remote Sensing for the Early Detection of Rapid ‘Ōhi‘a Death" LINK

"Developing deep learning based regression approaches for determination of chemical compositions in dry black goji berries (Lycium ruthenicum Murr.) using near-infrared hyperspectral …" LINK

" RAPID, NONDESTRUCTIVE AND SIMULTANEOUS PREDICTIONS OF SOIL CONTENT IN WULING MOUNTAIN AREA USING NEAR INFRARED …" LINK

Raman Spectroscopy

"Differentiating cancer cells using Raman spectroscopy (Conference Presentation)" LINK

"Applied Sciences, Vol. 10, Pages 3545: Raman Spectral Analysis for Quality Determination of Grignard Reagent" LINK

"Surfaceenhanced Raman spectroscopy for onsite analysis: A review of recent developments" LINK

Hyperspectral Imaging (HSI)

"Estimating leaf mercury content in Phragmites australis based on leaf hyperspectral reflectance" LINK

"A hyperspectral microscope based on a birefringent ultrastable common-path interferometer (Conference Presentation)" LINK

"Hyperspectral imaging of beet seed germination prediction" LINK

"Hyperspectral imaging for discrimination of Keemun black tea quality categories: Multivariate calibration analysis and data fusion" LINK

"Potential of deep learning and snapshot hyperspectral imaging for classification of species in meat" LINK

"Performance of Fluorescence and Diffuse Reflectance Hyperspectral Imaging for Characterization of Lutefisk: A Traditional Norwegian Fish Dish" LINK

Spectral Imaging

"Identify the ripening stage of avocado by multispectral camera using semi-supervised learning on small dataset" LINK

"Multispectral imaging for predicting the water status in mushroom during hotair dehydration" LINK

Chemometrics and Machine Learning

"Sample selection, calibration and validation of models developed from a large dataset of near infrared spectra of tree leaves" Eucalyptus forage quality LINK

"Determination of Loline Alkaloids and Mycelial Biomass in Endophyte-Infected Schedonorus Pratensis by Near-Infrared Spectroscopy and Chemometrics" LINK

"Detection and Assessment of Nitrogen Effect on Cold Tolerance for Tea by Hyperspectral Reflectance with PLSR, PCR, and LM Models" LINK

"Application of vibrationnal spectroscopy and chemometrics to access the quality of Locally produced antimalarial medicines in the Democratic Republic of Congo." LINK

"Predicting total petroleum hydrocarbons in field soils with VisNIR models developed on laboratoryconstructed samples" LINK

"National spectral data and learning algorithms for potentially toxic elements modelling in forest soil horizons" LINK

"Rapid determination of the textural properties of silver carp (Hypophthalmichthys molitrix) using near-infrared reflectance spectroscopy and chemometrics" LINK

"Vibrational spectroscopy and chemometrics for quantifying key bioactive components of various plum cultivars grown in New Zealand" LINK

Equipment for Spectroscopy

"NearInfrared Multipurpose LanthanideImaging Nanoprobes" LINK

Process Control and NIR Sensors

"Non-invasive measurement of quality attributes of processed pomegranate products" LINK

Environment NIR-Spectroscopy Application

"Spectral Feature Selection Optimization for Water Quality Estimation." LINK

"Remote Sensing, Vol. 12, Pages 931: Optical Water Type Guided Approach to Estimate Optical Water Quality Parameters" LINK

"Estimation of total nitrogen and organic carbon contents in mine soils with NIR reflectance spectroscopy and various chemometric methods" LINK

Agriculture NIR-Spectroscopy Usage

"Development of a compact multimodal imaging system for rapid characterisation of intrinsic optical properties of freshly excised tissue (Conference Presentation)" LINK

"Agriculture, Vol. 10, Pages 181: Grafting and ShadingThe Influence on Postharvest Tomato Quality" LINK

"Remote Sensing, Vol. 12, Pages 940: Editorial for the Special Issue Estimation of Crop Phenotyping Traits using Unmanned Ground Vehicle and Unmanned Aerial Vehicle Imagery"" LINK

"Predicting grain protein content of field-grown winter wheat with satellite images and partial least square algorithm." LINK

"The development of models to predict the nutritional value of feedstuffs and feed mixture using NIRS" LINK

"Permafrost soil complexity evaluated by laboratory imaging Vis‐NIR spectroscopy" LINK

Horticulture NIR-Spectroscopy Applications

"Recent advances in imaging techniques for bruise detection in fruits and vegetables" LINK

Forestry and Wood Industry NIR Usage

"Nutritional characterization of trees from the Amazonian piedmont, Putumayo department, Colombia" LINK

Food & Feed Industry NIR Usage

"Approaches, applications, and future directions for hyperspectral vegetation studies: An emphasis on yieldlimiting factors in wheat" LINK

"Beef Nutritional Quality Testing and Food Packaging" LINK

Laboratory and NIR-Spectroscopy

"UV Irradiation and Near Infrared Characterization of Laboratory Mars Soil Analog Samples: the case of Phthalic Acid, Adenosine 5'-Monophosphate, L-Glutamic Acid …" molecular biosignatures; spectroscopy; lifedetection LINK

Other

LINK

"Effect of substrate temperature on the microstructural and optical properties of RF sputtered grown ZnO thin films" LINK

Using near-infrared light to 3-D print an ear inside the body LINK

"Eco-friendly dye sensitized solar cell using natural dye with solid polymer electrolyte as hole transport material" solarcell LINK

NIR Calibration-Model Services

Near-Infrared Spectroscopy (NIRS)

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

Raman Spectroscopy

Hyperspectral Imaging (HSI)

Spectral Imaging

Chemometrics and Machine Learning

Equipment for Spectroscopy

"NearInfrared Multipurpose LanthanideImaging Nanoprobes" LINK

Process Control and NIR Sensors

"Non-invasive measurement of quality attributes of processed pomegranate products" LINK

Environment NIR-Spectroscopy Application

Agriculture NIR-Spectroscopy Usage

Horticulture NIR-Spectroscopy Applications

"Recent advances in imaging techniques for bruise detection in fruits and vegetables" LINK

Forestry and Wood Industry NIR Usage

"Nutritional characterization of trees from the Amazonian piedmont, Putumayo department, Colombia" LINK

Food & Feed Industry NIR Usage

Laboratory and NIR-Spectroscopy

Other

NIR Calibration-Model Services

Near-Infrared Spectroscopy (NIRS)

Infrared Spectroscopy (IR) and Near-Infrared Spectroscopy (NIR)

Raman Spectroscopy

Hyperspectral Imaging (HSI)

Spectral Imaging

Chemometrics and Machine Learning

Equipment for Spectroscopy

"NearInfrared Multipurpose LanthanideImaging Nanoprobes" LINK

Process Control and NIR Sensors

"Non-invasive measurement of quality attributes of processed pomegranate products" LINK

Environment NIR-Spectroscopy Application

Agriculture NIR-Spectroscopy Usage

Horticulture NIR-Spectroscopy Applications

"Recent advances in imaging techniques for bruise detection in fruits and vegetables" LINK

Forestry and Wood Industry NIR Usage

"Nutritional characterization of trees from the Amazonian piedmont, Putumayo department, Colombia" LINK

Food & Feed Industry NIR Usage

Laboratory and NIR-Spectroscopy

Other

January 20, 2020January 20, 2020

Spectroscopy and Chemometrics News Weekly #3, 2020Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #3, 2020Spettroscopia e Chemiometria Weekly News #3, 2020

Near Infrared (NIR) Spectroscopy

"Fourier-transform near infrared spectroscopy (FT-NIRS) rapidly and non-destructively predicts daily age and growth in otoliths of juvenile red snapper Lutjanus …" LINK

"Desarrollo de Modelos NIRS de Predicción para el Análisis de la Finura de Fibras Textiles de Vicuña y Llama" LINK

"fNIRS-GANs: Data augmentation using generative adversarial networks for classifying motor tasks from functional near-infrared spectroscopy." LINK

" Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases" LINK

"Penentuan Parameter Mutu Buah Jeruk Siam Garut Secara Nondestruktif Menggunakan Spektroskopi NIR" LINK

"Rapid non-destructive moisture content monitoring using a handheld portable Vis–NIR spectrophotometer during solar drying of mangoes (Mangifera indica L.)" LINK

"VIS-NIR wave spectrometric features of acorns (Quercus robur L.) for machine grading" LINK

"Portable NIR Spectroscopy: Affordable Technology for Developing Countries" LINK

"NIR spectroscopy used for non-destructive evaluation of the chemical composition of the investigated papers in addition to typically used standard methods." LINK

"Feasibility study on prediction of gasoline octane number using NIR spectroscopy combined with manifold learning and neural network" LINK

"Authentication of Tokaj Wine (Hungaricum) with the Electronic Tongue and Near Infrared Spectroscopy" LINK

"Environmental advantages of visible and near infrared spectroscopy for the prediction of intact olive ripeness" LINK

"Rapid screening and quantitative analysis of adulterant Lonicerae Flos in Lonicerae Japonicae Flos by Fourier-transform near infrared spectroscopy" LINK

"Rapid analysis of soluble solid content in navel orange based on visible-near infrared spectroscopy combined with a swarm intelligence optimization method" LINK

"Establishment and relevant analysis of plant's spectral reflectivity database in visible and near-infrared bands" LINK

Hyperspectral Imaging

"Mineral Mapping of Drill Core Hyperspectral Data with Extreme Learning Machines" LINK

"Deep learning classifiers for hyperspectral imaging: A review" LINK

"Texture and Shape Features for Grass Weed Classification Using Hyperspectral Remote Sensing Images" LINK

"Avoiding Overfitting When Applying Spectral-Spatial Deep Learning Methods on Hyperspectral Images with Limited Labels" LINK

"Estimation Model of Winter Wheat Yield Based on Uav Hyperspectral Data" LINK

Chemometrics and Machine Learning

"Validation of near infrared spectroscopy as an age-prediction method for plastics" LINK

Whoever leads in ArtificialIntelligence in 2030 will rule the world until 2100 | fintech AI MachineLearning DeepLearning robotics LINK

"Chemical Composition of Hexene-Based Linear Low-Density Polyethylene by Infrared Spectroscopy and Chemometrics" LINK

"Establishment of Plot-Yield Prediction Models in Soybean Breeding Programs Using UAV-Based Hyperspectral Remote Sensing" LINK

"DEVELOPING NEAR INFRARED SPECTROSCOPIC MODELS FOR PREDICTING DENSITY OF Eucalyptus WOOD BASED ON INDIRECT MEASUREMENT" LINK

"NIR reflectance spectroscopy and SIMCA for classification of crops flour" LINK

NIR Equipment

"Prediction of meat quality traits in the abattoir using portable and hand-held near-infrared spectrometers" LINK

"A Plug-and-play Hyperspectral Imaging Sensor Using Low-cost Equipment" LINK

NIR in Environment

"The use of hyperspectral remote sensing to detect PCB contaminated soils in the 0.35 to 12 micron spectral range" LINK

NIR in Agriculture

"Fast measurement of phosphates and ammonium in fermentation-like media: a feasibility study" LINK

"Detection of early decay on citrus using hyperspectral transmittance imaging technology coupled with principal component analysis and improved watershed …" LINK

"Determination of Nutritive Value of Some Feedstuffs Used in Poultry Nutrition by Near Infrared Reflectance Spectroscopy (NIRS) and Chemical Methods" LINK

"근적외선분광법을 이용한 사료용 벼의 사료가치 평가" "Evaluation of Feed Values for Whole Crop Rice Using Near Infrared Reflectance Spectroscopy" LINK

"Classification of crop flours based on protein contents using near infra-red spectroscopy and principle component analysis" LINK

"In-field detection of Alternaria solani in potato crops using hyperspectral imaging" LINK

NIR in Laboratory

"Use of Remote sensing technology to assess grapevine quality" LINK

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 2, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical AI Application Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 2, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 2, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel LINK

Start Calibrate

This week's NIR news Weekly is sponsored by Your-Company-Name-Here - NIR-spectrometers. Check out their product page ... link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.

Near Infrared (NIR) Spectroscopy

Hyperspectral Imaging

Chemometrics and Machine Learning

NIR Equipment

"Prediction of meat quality traits in the abattoir using portable and hand-held near-infrared spectrometers" LINK

"A Plug-and-play Hyperspectral Imaging Sensor Using Low-cost Equipment" LINK

NIR in Environment

"The use of hyperspectral remote sensing to detect PCB contaminated soils in the 0.35 to 12 micron spectral range" LINK

NIR in Agriculture

NIR in Laboratory

"Use of Remote sensing technology to assess grapevine quality" LINK

CalibrationModel.com

Near Infrared (NIR) Spectroscopy

Hyperspectral Imaging

Chemometrics and Machine Learning

NIR Equipment

"Prediction of meat quality traits in the abattoir using portable and hand-held near-infrared spectrometers" LINK

"A Plug-and-play Hyperspectral Imaging Sensor Using Low-cost Equipment" LINK

NIR in Environment

"The use of hyperspectral remote sensing to detect PCB contaminated soils in the 0.35 to 12 micron spectral range" LINK

NIR in Agriculture

NIR in Laboratory

"Use of Remote sensing technology to assess grapevine quality" LINK

CalibrationModel.com

Compare Prediction of Raw and Averaged Spectra – finding Outliers / Vergleich der Vorhersage von Roh- und gemittelten Spektren – Ausreißer finden / Confrontare la previsione degli spettri grezzi e medi – trovare i valori erratici

1. Prediction of Raw spectra
2. Prediction of Averaged Spectra - compare
3. finding Outliers

November 11, 2019November 11, 2019

Spectroscopy and Chemometrics News Weekly #45, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #45, 2019Spettroscopia e Chemiometria Weekly News #45, 2019

CalibrationModel.com

Aautomated machine learning enables this NIRS Lab workflow with ease : Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Increase Your Profit with optimized NIR Accuracy QAQC Food Feed Lab Milling Mills corn grain soybean LINK

NIR User? Get better results faster | Food Science QC Lab Laboratory Manager chemist LabWork Chemie analytik LINK

Reduce Cost of Ownership of NIRS Analycer by using CalibrationModel Services nirs Chemistry LINK

Spectroscopy and Chemometrics News Weekly 44, 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 44, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer NIRSensor Nahinfrarot NIRAnalytik NIRdevice LabEquipment Nahinfrarotspektroskopie Laboranalyse NIRlabor LINK

Spettroscopia e Chemiometria Weekly News 44, 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 - cost-effective-NIR-instruments. Check out their spectrometer product page ... link

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.

Chemometrics

"MicroNIR/Chemometrics: a new analytical platform for fast and accurate detection of ?9-Tetrahydrocannabinol (THC) in oral fluids" LINK

"Supervised classification methods in hyperspectral imaging-recent advances" LINK

MachineLearning Summarized in One Picture by | Read more here: ML Classification Regression Clustering NeuralNetworks ... LINK

Near Infrared

"Sorting post-consumer polymer on conveyor belt using NIR spectroscopy" LINK

" 近红外光谱技术在骨科疾病研究中的应用 Application of the NIR Spectroscopy in the Researches of Orthopedics Diseases" LINK

" Case Study of Ft-Nir Spectroscopy Age Estimation for Bering Sea Pacific Cod Stocks" LINK

"Proceedings of the research workshop on the rapid estimation of fish age using Fourier Transform Near Infrared Spectroscopy (FT-NIRS)" LINK

Infrared

"Identification of patients and plaques vulnerable to future coronary events with near-infrared spectroscopy intravascular ultrasound imaging: a prospective, cohort study" LINK

"Efficacy of PCSK-9 Inhibitors on Coronary Lipid Rich Plaque Assessed by Serial Near-Infrared Spectroscopy" LINK

"Analysis Technology of Residual Solvent of Printed Inkjet Ink with Near-Infrared Spectroscopy" LINK

Raman

In two weeks' time I will be visiting the UK to talk about Raman spectroscopy on Mars! If you're at Imperial, UCL or Oxford, come and learn about how we're going to use Raman to search for biosignatures on another world! LINK

Hyperspectral

"Hyperspectral imaging as a part of pharmaceutical product design" LINK

"Analysis of chromophores in stained-glass windows using Visible Hyperspectral Imaging in-situ" LINK

" REAL-TIME CORRECTIONS FOR A LOW-COST HYPERSPECTRAL INSTRUMENT" LINK

"Hyperspectral imaging in medical applications" LINK

"An overview of regression methods in hyperspectral and multispectral imaging" LINK

Equipment

Good reminder that it's easy to over-index on the "startup-industrial complex" and ignore the radical transformation software enables in old-line industries like, say, meat-packing equipment manufacturing. LINK

Environment

"Spectral Analysis of Estuarine Water for Characterisation of Inherent Optical Properties and Phytoplankton Concentration" LINK

Agriculture

"Qualitative and quantitative diagnosis of nitrogen nutrition of tea plants under field condition using hyperspectral imaging coupled with chemometrics" LINK

"Quantitative Analysis of Soil Total Nitrogen Using Hyperspectral Imaging Technology with Extreme Learning Machine" Sensors LINK

"Detection of adulterants and authenticity discrimination for coarse grain flours using NIR hyperspectral imaging" LINK

"Food and feed production" LINK

"Hyperspectral imaging in crop fields: precision agriculture" LINK

"Classification of saline water for irrigated agriculture using near infrared spectroscopy coupled with pattern recognition techniques" LINK

Other

" Classical and correlative analytical methods for origin identification of Hungarian honeys" LINK

" OpenAI Plays Hide and Seek…and Breaks The Game! " LINK

“The problem isn’t data protection, it’s data collection.” - NSA Whistleblower has his day on GDPR at WebSummit LINK

CalibrationModel.com

Chemometrics

Near Infrared

Infrared

Raman

Hyperspectral

Equipment

Environment

"Spectral Analysis of Estuarine Water for Characterisation of Inherent Optical Properties and Phytoplankton Concentration" LINK

Agriculture

Other

CalibrationModel.com

Chemometrics

Near Infrared

Infrared

Raman

Hyperspectral

Equipment

Environment

"Spectral Analysis of Estuarine Water for Characterisation of Inherent Optical Properties and Phytoplankton Concentration" LINK

Agriculture

Other

September 16, 2019

Spectroscopy and Chemometrics News Weekly #37, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #37, 2019Spettroscopia e Chemiometria Weekly News #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

.

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 analyced 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

Near Infrared

Hyperspectral

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

.

CalibrationModel.com

Chemometrics

Near Infrared

Hyperspectral

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

.

NIR-Predictor – Manual

NIR-Predictor – Manual
Predicting Spectra
Creating your own Calibrations
Configure the Calibrations for prediction usage
Applications
- The use-all case
Prediction Result Report
Enter lab values to NIR spectra
- Entering the laboratory reference values for NIR calibrations
- Create Properties File
Create Calibration Request
- When all is fine
Program Settings
Further References

NIR-Predictor – Manual

Predicting Spectra

It’s easy to use with NIR-Predictor,
just drag & drop your data for getting the prediction results.

It supports an automatic file format detection.
So you don’t need to specify the instrument type and settings! See the list of supported formats and NIR Vendors: NIR-Predictor supported Spectral Data File Formats

Use the included data to checkout how it feels:

Open the demo Spectra folder by using the Menu > Open Demo Spectra or press F8.
There are files with spectra from different Vendors.
Drag & drop a spectra file onto the NIR-Predictor window (or press Ctrl+O as for ’Open some files).
The spectra will be
- loaded
- pre-processed
- predicted and
- reported

Note:
All the steps are fully automatic.
All calibrations that are compatible with the spectra, will produce prediction results in one go.
To select specific calibrations choose the Application. Where the ” ” empty means use all the calibrations.
To define a Application read more in chapter “Applications”

Hint:
To get access to Statistics of Predictions and Reports use the Menu > Show more/less (Ctrl+M) or you can simply resize the window. Here you can also re-do the Analyze step manually with changed inputs (e.g. Result Ordering).

Creating your own Calibrations

How it works – step by step

You have measured your samples with you NIR-Instrument Software.
And got the Lab-values of these samples.

samples
-> measured NIR-spectra
-> Lab-references analytics
Now you need to combine these data.
NIR-spectra + Lab-references
-> PropertiesBySamples

Note: If you combined these data already in your NIR software used,
and you can export it as a JCAMP-DX file then use
Menu > Create Request File .req ... (F2)
and read the “Help.html” and NIR-Predictor JCAMP.
Else proceed as below.

The NIR-Predictor provides tooling for that:

Menu > Create Properties File... (F6)

Select the folder with your NIR spectra measured for an application.
NIR-Predictor creates a customized Properties file template for that data to enter the Lab values.

Note: You don’t need to specify your instrument or vendor or an application. It’s all done automatically. And also the sample spectra are detected and grouped automatically!
Use your favorite editor or spreadsheet program to enter and copy&paste
the Lab-references Values into the columns “Prop1”, “Prop2” etc. and save the file.
A final check of your entered data is done by NIR-Predictor,
to make sure your data ist complete and all is fine.

Menu > Create Calibration Request... (F7)

Select the folder with the filled file.
A CalibrationRequest.zip is created with the necessary data
if enougth diverse Lab values are entered.
Email the CalibrationRequest.zip file
to info@CalibrationModel.com to develop the calibrations.
When your calibrations are ready, you will receive an email with a link
to the CalibrationModel WebShop where
you can purchase and download the calibration files,
that work with our free NIR-Predictor software without internet access.

Note: Your sent NIR data is deleted after processing.
We do not collect your NIR data!

Note: Further details can be found under “Create Properties File” and “Create Calibration Request”.

Configure the Calibrations for prediction usage

Configuration:

in NIR-Predictor : Menu > Open Calibrations (F9)
an explorer window is opened where the calibrations are located
create a folder for your application, choose a name
copy the calibration file(s) (*.cm) into that folder
in NIR-Predictor : Menu > Search and load Applications (F4)

Usage:

in NIR-Predictor : open the Application drop down list, and select your application by name
if all is fine, the calibration file is valid and not expired, it shows : Calibration “1 valid calibation”
the NIR-Predictor is now ready to predict
to switch the application, goto 6.

Applications

The Application concept allows to group multiple Calibrations together for an Application. By selecting an Application before prediction, only the Calibrations belonging to the Application will be used for Prediction. In the Demo Data this is used to have multiple spectrometer as Application. This can be used easily as e.g. as Application “Meat Products” containing Fat and Moisture Calibration.

To create an Application, create a folder with the Application’s name inside the Calibrations folder, and move/copy all the Calibrations files to this Application folder. To remove a Calibration from the Application, remove the Calibration file from the Application folder.

After creating an new Application folder, press menu Search and load Applications (F4) to update the NIR-Predictor dialog where the Application can be selected via the dropdown list. You don’t need to close the NIR-Predictor.

After moving Calibration files around, press menu Search and load Calibrations (F5) to update the NIR-Predictor dialog.

The use-all case

In the NIR-Predictor dialog where the Application can be selected via the dropdown list, the empty "" name means that all (yes all) valid Calibrations will be used for prediction.

Note: The Prediction Report will contain only results from spectral compatible Calibrations with the given spectra. That allows to automatically handle the multi vendor NIR instrument usage.

Prediction Result Report

Histograms of Prediction Values per Property

Shows the distribution of the predicted results per calibration. The histogram range contains the range of the calibrated property and includes the predicted results.

The histogram bar (bin) color is defined as follow:

blue : all predictions inside calibration range.
red : all predictions outside calibration range.
orange : some overlaps with calibration range.
So not all spectra in a orange bin are outside calibration range.

Histograms of Prediction Values — Histograms

Note: Predicted values are always shown in Histogram table and Prediction Value List table, even if the spectrum does not fit into model (spectrum different to model, aka Residual Outlier) shown as Out = X.

Note: Old browsers like Microsoft Internet Explorer 11 don’t support the grafics for Histogram charts. Use an current browser like Firefox or Chrome or Edge.

Note: If your browser opens the report too slow, try to deactivate some browser plugins, because they can filter what you look at and some add-ons are really slow.

Spectra Plot Thumbnail on the Prediction Report

Visualizes the min,median,max spectrum of the spectra dropped as files on the NIR-Predictor. This gives a minimal and good spectral overview of the predicted property results.

Spectra Plot color legend: min,median,max spectrum by predicted property or if no calibration is available by spectral intensity.
The min,median,max is determined from the predicted properties or if not available from the intensity of the spectra.
Beside the histogram of the predicted properties, where the distribution can be seen, the spectra shown are the ones from min,median,max predicted property.
This gives a minimal and good spectral overview of the predicted property results.
The “Spectral Range” and number of datapoints is shown in the Prediction Report Header below the listed spectra files.
To zoom the spectra plot a little, zoom the report in the browser (hold ctrl + mouse wheel, or pinch on touch screen).
The spectra plots and histograms are stored with the report and can be archived.

Note

Note that the spectra are shown in the raw values that are loaded, they are not shown pre-processed as the calibration model uses them to make the prediction.
Note that the median property spectrum is the median from the predicted property pobulation and not the “median” of the calibration property range.
Note that in the multi calibration prediction case, the spectra are selected for each property based on the related predicted property values and so the spectra plots shows typical different spectra.

Plot of predicted Spectra — Spectra Plot

Outlier Detection

To safeguard the prediction results, outliers are automatically checked for each individual prediction. This is based on limits that are determined when creating the calibration with the base data. Thus, a strange spectral measurement can be detected and signaled as an outlier even without base data only by means of the calibration and the NIR predictor. A prediction result with outlier warning is to be distrusted. How the various outlier tests are interpreted and how to avoid them in practice is described here.

The spectrum is an outlier to the model, if the spectrum is not similar with the spectra and lab-values the model is built with.

This legend is shown on each NIR-Predictor prediction report below the results:

Outlier (Out) Symbol Description

“X” : spectrum does not fit into model (spectrum different to model)
“O” : spectrum is wide outside model center (spectrum similar to model but far away)
“=” : prediction is outside upper or lower range of model (property outside model range)
“-” : spectrum is incompatible to calibration

Note: A prediction result with outlier warning is to be distrusted.

There are 3 outlier cases (X, O, =) and the incompatible data case “-”.

The bad case is “X”
the medium case is “O”
and the soft case is “=”.

The technical names in literature correspond to:

“X” : Spectral Residual Outlier
“O” : Leverage Outlier
“=” : Property Range Outlier

These 3 outlier cases can appear in combinations, like “XO=” or “XO” or “O=” or “X=”. The more outlier marker are shown the more likely the spectrum is an Outlier.

The default setting in NIR-Predictor Menu > “Report with Simplified Outlier Symbols”

is ON, that will show only the worst case instead of all combinations to have a simplified minimal information.
if OFF, that will show the combinations (e.g. “XO=” or “XO” or “O=” or “X=”), which is more informative for analyzing problem cases.

Some hints to avoid these Outliers:

“X” : spectrum does not fit into model (spectrum different to model)
Check if the spectrum is noise only, or has no proper signal. That can happen when measured past the sample or measured into the air or at a different substance. If you have multiple NIR instruments of the same type, use spectra measured with different instruments for the calibration.
“O” : spectrum is wide outside model center (spectrum similar to model but far away) Sample temperature has an effect on NIR spectra shape, use spectra measured at different (typical use) temperatures (sample temperature, instrument temperature).
“=” : prediction is outside upper or lower range of model (property outside model range)
Use more spectra for the calibration in the Lab value region where your special interest is. If the predicted value is only a little bit out of the calibration range, it can be Ok. Add these spectra to the calibration spectra (with the Lab values), to extend the prediction range of the calibration.
“-” : spectrum is incompatible to calibration
The spectra (from the NIR instrument) has a different wavelength range or a different resolution than the spectra used for calibration. Check Instrument settings (wavelength range, resolution)

Result Ordering

To change the ordering, a drop-down-box is located below the Analyze button. If there is an analysis from the current session, and the Result Ordering is changed, the data is re-Analyzed and reported with the new Result Ordering setting. That allows to compare the different orderings. The Result Ordering is listed in the Prediction Report above the Prediction Value List and stored in the settings.

The order/sorting of the prediction results of the spectra can be defined:

GivenOrder (default) the given order of the spectra from file select dialog or drag&drop

*) sorted : ascending sort

Date_Name sorted by Date (if any) and then by Name
Name_Date sorted by Name and then by Date
Date_NamesWithNumbers sorted by Date (if any) and then by Name with number logic
NamesWithNumbers_Date sorted by Name with number logic (e.g. “ABC1” is before “ABC002” ) and then by Date

*) as above but sorted Rev : reverse sort = descending sort

Rev_Date_Name
Rev_Name_Date
Rev_Date_NamesWithNumbers
Rev_NamesWithNumbers_Date

E.g. with reverse sort by Rev_Date_Name, the newest spectra appear on top.

Print to PDF

Depending on how many calibrations are used the result table is getting broader. To print the report (e.g. to Adobe PDF, FreePDF or Microsoft XPS), sometimes the landscape format is shorter in number of pages or in portrait a scale of 80% fits nicely. Or try another internet browser (Mozilla Firefox, Google Chrome, Microsoft Edge, …) to print the report and set the browser as your default browser so it will be opened by default.

Archiving Reports

Each report is contained in one file only, including the grafics. To save storage space the report file folder can be compressed to a zip file (.zip, .7z).

Enter lab values to NIR spectra

Entering the laboratory reference values for NIR calibrations

We have developed specialized tools into NIR-Predictor to combine the NIR and Lab data is a sample-based safe manner.

The main target is to improve Data Quality during the step of combining of the Lab data and the NIR data, because to model a good reliable calibration the data that build the base needs to be of high quality.

It also simplifies to enter the lab values manually to the corresponding NIR data, because of automatically grouping repeated NIR measurements of the same sample, so the lab values can be entered sample based and not by spectrum.

It helps to avoid false reference data, because of the broken relation of NIR spectra and reference values, data entry on the wrong position in the table.

And Helps to detect errors of duplicated or multiple copies of spectra files, and checks for inconsistencies in Date-Time and Sample-Naming. It also checks for missing values.

That all increases the Data Quality for the next step of Calibration Development, and makes data entry a less time consuming and less risky work.

How it works

Menu > Create Properties File... (F6) select the folder with your NIR spectra measured for an application. NIR-Predictor creates a Properties file template for that data : PropertiesBySamples.csv.txt
Use your favorite editor or spreadsheet program to enter and copy&paste the Lab Values into the columns and save the file.
Menu > Create Calibration Request... (F7) select the folder with the filled file for a last check and a Calibration Request file is created with the needed data as a single zip file.
Email the Calibration Request file to info@CalibrationModel.com to develop the calibrations.

Ok that is it, the NIR-Predictor guides you through the steps needed. And if you need to know more details, the Chapter “Create Properties File” is for you.

Create Properties File

Note:

If you have (exported) JCAMP-DX files containing the Lab-Values, you don’t need to do this step.
You can send the JCAMP file with your Request (.req) file directly to the calibration service at info@CalibrationModel.com.
If your JCAMP-DX files does NOT contain Lab-Values, this is a way to go.

For calibrating the spectra to the lab-values you need to assign the lab-values to the spectra. The easiest way is to have a table where each spectrum (row) is linked to multiple lab-values (columns). This function Create Properties File build such a table for the selected spectra folder automatically!

This table is stored in the file PropertiesBySamples.csv.txt. This can be created for any spectra folder you like. The file extension is .csv.txt to make it easy to edit in a text editor and also in a spreadsheet (excel). The columns are standard TAB separated.

The file header line contains :

Sample Replicates Names Prop1 Prop2 Prop3 DateFirst DateLast Hashes

Where Name and Date describes the spectrum.

Prop1, Prop2, Prop3 are the place to enter the Lab Reference Concentrations properties corresponding to each spectrum. It can be extended to Prop4, Prop5, … etc. Of course you can enter real word names like “Fat (%)” instead of “Prop1”. It’s recommended to put the measurement unit beside the name.

Replicates is the number of replicated or repeated spectra of a sample that is grouped together in the Sample based property file. Sample name and the DateFirst / DateLast between the sample spectra are measured.

Date format is ISO-8601. Missing Dates are 0002-02-02T00:00:00.0000000.

If the file PropertiesBySamples.csv.txt already exist in the selected folder, the user will be notified (it will not be overwritten, because the file may contain user entered Lab-values). The Lab Reference Concentrations values are initialized to 0 (zero) and needed to be changed.

Note: 0 is not interpreted as missing value! If you have a 0 concentration value, put in 0 or 0.0 .

The entry of properties is as easy as possible, because it’s organized by Sample (and not by Spectra), so it’s like your Lab-Value Table that is sample based. The sample rows are sorted in a special way by Sample name. Sorting by Date or alphabetically by Sample can done easily in a spreadsheet program.

Note: when coping lab values to the samples make sure they correspond, so that there are no gaps and the sorting is the same.

The Spectra (rows) are initially sorted by name (and date) to have the replicates/repeats together. You can sort for your convenience in a spreadsheet program.

Enter the Lab Reference Concentrations to the spectra/sample.

Enter the Lab-Values in spreadsheet (e.g. Excel) or a text editor (e.g. Notepad++). If done, use the next menu Create Calibration Request.

Hints: Data handling:

The NIR-Predictor creates the PropertiesBySamples.csv.txt once, after that the user is responsible for its content. That means NIR-Predictor does not change this file anymore.
You can remove entire rows (spectra) in the property file. You don’t need to remove the spectra files. The NIR-Predictor is aware of the relation, the PropertiesBySamples.csv.txt defines what will be calibrated.
How to add more spectra files?
The additional spectra can be handled in a separate folder, create the property file and copy the spectra to the other folder and copy/merge the property files together in your editor or spreadsheet.

Or

Copy the spectra into the folder, rename the PropertiesBySamples.csv.txt to e.g. “PropertiesBySamples-Part1.csv.txt” and use Create Properties File to create a new PropertiesBySamples.csv.txt with all the spectra. You can copy/merge the content of the Properties files together in your editor or spreadsheet.
What happens with possible duplicate rows? It does no harm to the Calibration because we do an exact checking and data cleaning in the calibration process.
What happens to duplicate spectra names? The spectra names are not relevant for the calibration process. The spectra names are helpful to assign the lab-values to the corresponding spectrum entry. That’s why the table is initially sorted by name. The spectra names can be edited by the user.

Create Calibration Request

The menu function Create Calibration Request packs a created Properties file (see “Create Properties File”) and it’s linked spectra files in a compressed ZIP file for sending to the CalibrationModel.com Service.

Please note that the number of measured quantitative samples need to be at least 60 . That means you need at least 60 different spectra (not counting the replicate/repeated measurements).

It shows additional property information about the data you have entered, like – the property type (Quantitative) – it’s range (min – max) and – the number of unique values and – if the Lab-values are enough diverse to get calibrated.

First select the folder with the PropertiesBySamples.csv.txt and measured spectra files of samples you have Lab-values. The data is checked and you get notified what is missing or might be wrong. If something needs to be changed, edit the PropertiesBySamples.csv.txt and do Create Calibration Request again. Your last selected folder is remembered, so you can press return in the folder selection dialog.

Hint: The keyboard shortcuts for redoing it after you edited some entries is : F7 Return – that allows you to get the property information quickly.

Hint: If you open the PropertiesBySamples.csv.txt in a spreadsheet program, you can create Histogram plots of the entered Lab-values, to see in which range are to less samples measurements.

When all is fine

When all is fine the “CalibrationRequest.zip” file is created for that data.

The ZIP file contains:

your PropertiesBySamples.csv.txt
your personal REQuest file for your computer system, that looks like
e.g. “337dcdc06b2d6dfb0b5c4bba578642312edf2ae84d909281624d7e26283e8b07 WIN-GB0PB48GSK4.req”
the spectra data files

Note: If the CalibrationRequest.zip file is already created and you change the PropertiesBySamples.csv.txt make sure to delete the old CalibrationRequest.zip file first! In the dialog it states if it was successfully created or NOT because it already exist. So you are always on the safe side.

Note: CalibrationRequest.zip file name contains the property names to know what would be calibrated and at the end an identification number for referencing the file. E.g. “CalibrationRequest ‘Prop1’ – ‘Prop2’ h31T3wOH.zip”

Program Settings

The users program settings are stored in UserSettings.json
The program counters are stored in GlobalCounters.json

Further References

Data File Formats : NIR-Predictor supported Spectral Data File Formats
Release Notes : NIR-Predictor – Release Notes History
Frequently Asked Questions: NIR-Predictor – FAQ

August 19, 2019

Spectroscopy and Chemometrics News Weekly #33, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #33, 2019Spettroscopia e Chemiometria Weekly News #33, 2019

CalibrationModel.com

SAFE COST IN MAINTAINING NIR-SPECTROSCOPY METHODS | NIRSpectroscopy NIRS Spectroscopy DigitalTransformation Analysis Lab Laboratory Application Quantitative Analysis Methods Measurements Analytical Parameters Spectrometer Quality Accuracy LINK

Spectroscopy and Chemometrics News Weekly 32, 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 32, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LaborNIR LINK

Spettroscopia e Chemiometria Weekly News 32, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction NIRmodels LINK

Get the Chemometrics and Spectroscopy News in real time on Twitter @ CalibModel and follow us.

Chemometrics

"Predicting the dry matter intake of grazing dairy cows using infrared reflectance spectroscopy analysis." LINK

"Simultaneous determination of food colorants in liquid samples by UVVisible spectroscopy and multivariate data analysis using a reduced calibration matrix" LINK

"Coupling MicroNIR / Chemometrics for the on-site detection of cannabinoids in hemp flours" LINK

"Calibration and Characterization of Hyperspectral Imaging Systems Used for Natural Scene Imagery" LINK

"Analysis of wood thermal degradation using 2D correlation of near infrared and visible-light spectroscopy" LINK

"Rapid method for the quantification and identification of emerging compounds in wastewater based in nir spectroscopy and chemometrics" LINK

"Predicting the dry matter intake of grazing dairy cows using infrared reflectance spectroscopy analysis" |(19)30642-3/fulltext LINK

Near Infrared

"Application of Artificial Neural Networks (ANN) Coupled with Near-InfraRed (NIR) Spectroscopy for Detection of Adulteration in Honey" LINK

"Statistical Analysis of Amylose and Protein Content in Landrace Rice Germplasm Collected from East Asian Countries Based on Near-Infrared Reflectance Spectroscopy (NIRS)" LINK

"Identification of wheat kernels by fusion of RGB, SWIR, and VNIR samples." LINK

"Purity analysis of multi-grain rice seeds with non-destructive visible and near-infrared spectroscopy" LINK

"Development of a methodology to analyze leaves from Prunus dulcis varieties using near infrared spectroscopy." LINK

"Analysis of hydration water around human serum albumin using near-infrared spectroscopy" LINK

"Real-time Biomass Characterization in Energy Conversion Processes using Near Infrared Spectroscopy-A Machine Learning Approach" LINK

"Support vector machine regression on selected wavelength regions for quantitative analysis of caffeine in tea leaves by near infrared spectroscopy" LINK

"Near Infrared Reflectance Spectroscopy to analyze texture related characteristics of sous vide pork loin." LINK

"Estimation of the Alcoholic Degree in Beers through Near Infrared Spectrometry Using Machine Learning" LINK

"The quantitative detection of botanical impurities contained in seed cotton with near infrared spectroscopy method" LINK

Raman

New post: Raman spectroscopy may make thyroid cancer diagnosis less invasive | Raman spectroscopy thyroid cancer LINK

Optics

"A multi-pixel diffuse correlation spectroscopy system based on a single photon avalanche diode array." LINK

Agriculture

"The acute influence of sucrose consumption with and without vitamin C co-ingestion on microvascular reactivity in healthy young adults" vitaminC LINK

"Identification and characterization of a fast-neutron-induced mutant with elevated seed protein content in soybean" LINK

"Quantitative analysis and hyperspectral remote sensing of the nitrogen nutrition index in winter wheat" LINK

Food & Feed

"Multidimensional scaling assisted Fourier-transform Infrared spectroscopic analysis of fruit wine samples: Introducing a novel analytical approach" LINK

CalibrationModel.com

Chemometrics

Near Infrared

Raman

New post: Raman spectroscopy may make thyroid cancer diagnosis less invasive | Raman spectroscopy thyroid cancer LINK

Optics

"A multi-pixel diffuse correlation spectroscopy system based on a single photon avalanche diode array." LINK

Agriculture

Food & Feed

"Multidimensional scaling assisted Fourier-transform Infrared spectroscopic analysis of fruit wine samples: Introducing a novel analytical approach" LINK

CalibrationModel.com

Chemometrics

Near Infrared

Raman

New post: Raman spectroscopy may make thyroid cancer diagnosis less invasive | Raman spectroscopy thyroid cancer LINK

Optics

"A multi-pixel diffuse correlation spectroscopy system based on a single photon avalanche diode array." LINK

Agriculture

Food & Feed

"Multidimensional scaling assisted Fourier-transform Infrared spectroscopic analysis of fruit wine samples: Introducing a novel analytical approach" LINK

NIR Method Development Service for Labs and NIR-Vendors (OEM)

CalibrationModel.com ia a perfect match for
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The Triple to success : faster better analytics
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DATA = exported Spectra and (Lab-)reference values as JCAMP-DX or other data formats
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Sending DATA
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