Spectroscopy and Chemometrics News Weekly #13, 2021

NIR Calibration-Model Services

NIRS Analytical Laboratory Method Development : Reduce Workload and Response Time | MethodDevelopment modeling LINK

Spectroscopy and Chemometrics News Weekly 12, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Application Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Service Software Sensors QA QC Testing Quality LINK

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

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Near-Infrared Spectroscopy (NIRS)

“Differentiation between Fresh and Thawed Cephalopods Using NIR Spectroscopy and Multivariate Data Analysis. Foods 2021, 10, 528” LINK

“Ethanol-soluble carbohydrates of cool-season grasses: prediction of concentration by near-infrared reflectance spectroscopy (NIRS) and evaluation of effects of …” LINK

“An Evaluation of Different NIR-Spectral Pre-Treatments to Derive the Soil Parameters C and N of a Humus-Clay-Rich Soil” LINK

“Prediction of Physicochemical Properties in Honeys with Portable Near-Infrared (microNIR) Spectroscopy Combined with Multivariate Data Processing” LINK

“Comparison between single and mixed-species NIRS databases’ accuracy of dairy fiber feed value detection” LINK

“Using autoencoders to compress soil VNIR–SWIR spectra for more robust prediction of soil properties” LINK

“Prediction of some quality properties of rice and its flour by near-infrared spectroscopy (NIRS) analysis.” ricequality Amylose viscosity LINK

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

“Nitrogen Management Based on Visible/Near Infrared Spectroscopy in Pear Orchards” Remote Sensing LINK

“Applications of near infrared spectroscopy for fish and fish products quality: a review” LINK

“Near Infrared Spectroscopy as a PAT Tool for Monitoring and Control of Protein and Excipient Concentration in Ultrafiltration of Highly Concentrated Antibody Formulations” LINK

“Determination of soluble solid content in market tomatoes using Near-infrared Spectroscopy” LINK

“Discriminating Coalho cheese by origin through near and middle infrared spectroscopy and analytical measures” LINK

“Current and future research directions in computer-aided near-infrared spectroscopy: A perspective” LINK

“Estimation of the Relative Abundance of Quartz to Clay Minerals Using the Visible–Near-Infrared–Shortwave- Infrared Spectral Region” LINK

“Estimating the Lactate Threshold Using Wireless Near-Infrared Spectroscopy and Threshold Detection Analyses” LINK

“Smart SelfAssembly Amphiphilic CyclopeptideDye for NearInfrared WindowII Imaging” LINK

“Application of Long-Wave Near Infrared Hyperspectral Imaging for Determination of Moisture Content of Single Maize Seed” LINK

“Near Infrared Spectroscopy as a PAT Tool for Monitoring and Control of Protein and Excipient Concentration in Ultrafiltration of Highly Concentrated Antibody …” LINK

” Achieving the potential multifunctional near-infrared materials Ca 3 In 2− x Ga x Ge 3 O 12: Cr 3+ using a solid state method” LINK

“ATR-FTIR Microspectroscopy Brings a Novel Insight Into the Study of Cell Wall Chemistry at the Cellular Level” LINK

“Development and performance tests of an on-the-go detector of soil total nitrogen concentration based on near-infrared spectroscopy” LINK

“Mid-Infrared Scattering in -Al2O3 Catalytic Powders” LINK

“Rapid tannin profiling of tree fodders using untargeted mid-infrared spectroscopy and partial least squares regression” LINK

“Intelligent evaluation of taste constituents and polyphenols-to-amino acids ratio in matcha tea powder using near infrared spectroscopy” LINK

Raman Spectroscopy

“In vivo diagnosis of skin cancer with a portable Raman spectroscopic device” LINK

Hyperspectral Imaging (HSI)

” A chemometric view of hyperspectral images” LINK

Chemometrics and Machine Learning

” A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in …” LINK

“Soil exchangeable cations estimation using Vis-NIR spectroscopy in different depths: Effects of multiple calibration models and spiking” LINK

“Prediction of Tea Theanine Content using Near-Infrared Spectroscopy and Flower Pollination Algorithm” LINK

“Predicting Oil Content In Ripe Macaw Fruits (Acrocomia Aculeata) From Unripe Ones By Near Infrared Spectroscopy And Pls Regression” LINK

“A Model Based on Clusters of Similar Color and NIR to Estimate Oil Content of Single Olives” LINK

“Quick Determination and Discrimination of Commercial Hand Sanitisers Using Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy and Chemometrics” LINK

“A synergistic use of chemometrics and deep learning improved the predictive performance of near-infrared spectroscopy models for dry matter prediction in mango fruit” LINK

“Comparative study between Partial Least Squares and Rational function Ridge Regression models for the prediction of moisture content of woodchip samples using a handheld spectrophotometer” LINK

“Classification of Lingwu long jujube internal bruise over time based on visible near-infrared hyperspectral imaging combined with partial least squares-discriminant …” LINK

“Nondestructive qualitative and quantitative analysis of Yaobitong capsule using near-infrared spectroscopy in tandem with chemometrics” LINK

“Near infrared reflectance spectroscopy: classification and rapid prediction of patchouli oil content” LINK

“Chemometric classification of geothermal and non-geothermal ethanol leaf extract of seurapoh (Chromolaena odorata Linn) using infrared spectroscopy” LINK

Process Control and NIR Sensors

“In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review” LINK

Environment NIR-Spectroscopy Application

“Remote Sensing, Vol. 13, Pages 1105: Water Conservation Estimation Based on Time Series NDVI in the Yellow River Basin” LINK

“A novel framework to estimate soil mineralogy using soil spectroscopy” LINK

Agriculture NIR-Spectroscopy Usage

“Pentosan polysulfate maculopathy: Prevalence, spectrum of disease, and choroidal imaging analysis based on prospective screening: Pentosan maculopathy: disease spectrum & choroidal analysis” LINK

“An Alternative Approach to Evaluate the Quality of Protein-Based Raw Materials for Dry Pet Food. Animals 2021, 11, 458” LINK

“The use of NIR sensor technology for soil test-based decision making in agriculture” LINK

“Estimation of Starch Hydrolysis in Sweet Potato (Beni haruka) Based on Storage Period Using Nondestructive Near-Infrared Spectrometry. Agriculture 2021, 11, 135” LINK

“Handheld vs. Benchtop NearInfrared Spectrometers – How Do They Compare for Analyzing Forage Nutritive Value?” LINK

“Foods, Vol. 10, Pages 612: Preliminary Insights in Sensory Profile of Sweet Cherries” LINK

“Comparing CalReg performance with other multivariate methods for estimating selected soil properties from Moroccan agricultural regions using NIR spectroscopy” LINK

“Potential of Multivariate Statistical Technique Based on the Effective Spectra Bands to Estimate the Plant Water Content of Wheat Under Different Irrigation Regimes” LINK

“Agriculture, Vol. 11, Pages 239: In-Line Technologies for the Analysis of Important Milk Parameters during the Milking Process: A Review” LINK

“Foods, Vol. 10, Pages 496: Fatty Acid Composition from Olive Oils of Portuguese Centenarian Trees Is Highly Dependent on Olive Cultivar and Crop Year” LINK

“Automated in-field leaf-level hyperspectral imaging of corn plants using a Cartesian robotic platform” LINK

“A novel compact intrinsic safety full range Methane microprobe sensor using “trans-world” processing method based on near- infrared spectroscopy” LINK

“Organic carbon in agricultural and agroforestry soils: Effect of different management practices” LINK

“Machine Learning-Based Approach to Predict Insect-Herbivory-Damage and Insect-Type Attack in Maize Plants Using Hyperspectral Data” LINK

” Spectral reflectance of marine macroplastics in the VNIR and SWIR measured in a controlled environment” LINK

Forestry and Wood Industry NIR Usage

“Chemometric development using portable molecular vibrational spectrometers for rapid evaluation of AVC (Valsa mali Miyabe et Yamada) infection of apple trees” LINK

Food & Feed Industry NIR Usage

“Quantitative Analysis of Colony Number in Mouldy Wheat based on Near Infrared Spectroscopy combined with Colorimetric Sensor” LINK

Pharma Industry NIR Usage

” Integration of transcriptomes analysis with spectral signature of total RNA for generation of affordable remote sensing of Hepatocellular carcinoma in serum …” LINK

Laboratory and NIR-Spectroscopy

” Prediction of meat quality traits in the abattoir using portable near-infrared spectrometers: heritability of predicted traits and genetic correlations with laboratory …” LINK


“Ultrasonic-assisted catalytic transfer hydrogenation for upgrading pyrolysis-oil” LINK

“Quantitation of volatile aldehydes using chemoselective response dyes combined with multivariable data analysis” LINK

“Evaluation and optimization on the reflection and durability of reflective coatings for cool pavement” LINK

“Polyvinyl chloride: chemical modification and investigation of structural and thermal properties” LINK


Digitization in the field of NIR spectroscopy (smart sensors)

Digitalization is advancing, also in NIR spectroscopy, which enables trainable miniature smart sensors e.g. for analyses in the food&feed, chemical and pharmaceutical sectors.

The calibration is the core of a NIR spectroscopy sensor, it enables the numerous applications and should therefore not be the weakest link in the measurement chain.

The development of calibrations that turn NIR spectrometers into smart sensors is done manually by experts (NIR specialist, chemometrician, data scientist) with so-called chemometrics software.

This is very time-consuming (time to market) and the result is person-dependent and thus suboptimal, because each expert has his own preferred way of proceeding. In addition, the calibrations have to be maintained, as new data has been collected in the meantime, which can be used to extend and improve the calibrations.

This is where our automated service comes in, combining the knowledge and good practices of NIR spectroscopy and chemometrics collected in one software and using machine learning to generate optimal calibrations.

Based on this, we have developed a complete technology platform (Time to Market) that covers the entire process from sending NIR + Lab data, to NIR Calibration as a Service, from online purchase of calibrations, to NIR Predictor software that directly evaluates newly measured NIR data locally and generates result reports.

Besides the free desktop version with user interface, the NIR Predictor can also be integrated (OEM). This can be integrated in parallel as a complement to your current Predictor, allowing the user to choose how they want to calibrate. And give them the advantage in NIR feasibility studies and NIR spectrometer evaluations to quickly provide the customer with a solid and accurate calibration that will make their NIR system deliver better results.

Advantages for your NIR users (internal or external)
  • no initial costs (no chemometrics software license required),
  • calculable operating costs (fixed amount instead of time and hourly rate) (calibration development, calibration maintenance)
  • easy to use (no chemometrics and software training),
  • quicker to use (no calibration development work) and
  • better calibrations (precision, accuracy, robustness, …)

Our chargeable service is based on the calibration development and the annual calibration use. Calibration development and calibration use can also be carried out separately (manufacturer / user).

For you as a spectrometer manufacturer, this means that you can deliver your system pre-calibrated for certain applications without incurring software license costs. And without your application specialists having to provide additional calibration services.

The unique advantages of our calibration service together with the free NIR Predictor are:
  • no software license costs (chemometrics software, predictor software, OEM integration)
  • no chemometrics know-how necessary
  • no time needed to develop optimal NIR calibrations.

If interested in using/evaluating the service :

About CalibrationModel.com : Time and knowledge intensive creation and optimization of chemometric evaluation methods for spectrometers as a service to enable more accurate analysis and measurement results.

see also

Paradigm Change in NIR

Five Mistakes to avoid on Digitalization in NIR

NIR – Total cost of ownership (TCO)

OEM / White Label Software

White Paper

NIR Analysis in Laboratory and Laboratories – aka NIR Labs and NIR testing

Do you have a NIR spectrometer in your Lab?

How many other analytics you do in the Lab could be done faster and cheaper with NIR?

Is this possible and precise enough?

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NIR has huge application potentials and it’s a Green analytical method, that’s fast and easy to use. And has today the possibility to scale out with inexpensive mobile NIR spectrometers.

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What is possible today with NIR?
The number of different Applications exploded in the last 2-3 years!
See NIR research papers news daily on @CalibModel or the 7-day summariesNIR News Weekly” here.

Spectroscopy and Chemometrics News Weekly #32, 2020

NIR Calibration-Model Services

Increase Your Profit with optimized NIR Accuracy Laboratory QC QA Food Feed Aquaculture petfood grain milk LINK

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

Spectroscopy and Chemometrics News Weekly 31, 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 31, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 31, 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)

“A Performance Comparison of Low-Cost Near-Infrared (NIR) Spectrometers to a Conventional Laboratory Spectrometer for Rapid Biomass Compositional Analysis” LINK

“Lifting wavelet transform for Vis-NIR spectral data optimization to predict wood density.” LINK

New paper ‘Comparison of Raman and Near-Infrared Chemical Mapping for the Analysis of Pharmaceutical Tablets’ in from Hannah Carruthers () PhD work with Don Clark, Fiona Clarke LINK

“Peach variety detection using VIS-NIR spectroscopy and deep learning” LINK

“Rapid Screening of Phenolic Compounds from Wild Lycium ruthenicum Murr. Using Portable near-Infrared (NIR) Spectroscopy Coupled Multivariate Analysis” LINK

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

“Accurate Prediction of Sensory Attributes of Cheese Using Near-Infrared Spectroscopy Based on Artificial Neural Network” Sensors LINK

“Determination of Ethanol in Gel Hand Sanitizers Using Mid and Near Infrared Spectroscopy” LINK

“Dynamic monitoring of fatty acid value in rice storage based on a portable near-infrared spectroscopy system” LINK

“Establishment of an Accurate Starch Content Analysis System for Fresh Cassava Roots Using Short-Wavelength Near Infrared Spectroscopy” LINK

“Photochemical upconversion of near-infrared light from below the silicon bandgap” LINK

” Rapid determination of adulteration in virgin and copra coconut oil using Fourier transform near infrared spectroscopy” LINK

“Non-destructive determination of fat and moisture contents in salmon (Salmo salar) fillets using near-infrared hyperspectral imaging coupled with spectral and textural …” LINK

“Penentuan Kandungan Kimia Utama Minyak Nilam (Pogostemon cablin Benth.) Menggunakan Portable Near Infrared Spectroscopy” LINK

“Evaluation of an autoencoder as a feature extraction tool for near-infrared spectroscopic discriminant analysis” LINK

Chemometrics and Machine Learning

“High-precision identification of the edible oil actual storage periods by FT-NIR spectroscopy combined with chemometrics methods” LINK

“Nearinfrared multivariate model transfer for quantification of different hydrogen bonding species in aqueous systems” LINK

“Rapid determination of polysaccharides and antioxidant activity of Poria cocos using near-infrared spectroscopy combined with chemometrics” LINK

“Quantifying Soluble Sugar in Super Sweet Corn Using Near-Infrared Spectroscopy Combined with Chemometrics” LINK

“… parameter optimization for discriminant model development: A case study of differentiating Pinellia ternata from Pinellia pedatisecta with near infrared spectroscopy” LINK

Optics for Spectroscopy

“Effective of adhesives in textiles on quantitative chemical analysis of fibers.” LINK

Research on Spectroscopy

“Assessment of Supercritical CO2 Extraction as a Method for Plastic Waste Decontamination” LINK

Equipment for Spectroscopy

“A Visible and Near-Infrared Light Activatable Diazo-Coumarin Probe for Fluorogenic Protein Labeling in Living Cells” LINK

Environment NIR-Spectroscopy Application

“Alterations of plastics spectra in MIR and the potential impacts on identification towards recycling” LINK

“Carbonates and organic matter in soils characterized by reflected energy from 350–25000 nm wavelength” LINK

Agriculture NIR-Spectroscopy Usage

“Remote Sensing, Vol. 12, Pages 2019: Study on Spectral Response and Estimation of Grassland Plants Dust Retention Based on Hyperspectral Data” LINK

“Application of FT-NIR spectroscopy and NIR hyperspectral imaging to predict nitrogen and organic carbon contents in mine soils” LINK

Forestry and Wood Industry NIR Usage

“The Effect of Construction and Demolition Waste Plastic Fractions on Wood-Polymer Composite Properties.” LINK

“Genetic improvement of the chemical composition of Scots pine (Pinus sylvestris L.) juvenile wood for bioenergy production” LINK

Food & Feed Industry NIR Usage

“Identification of Bacterial Blight Resistant Rice Seeds Using Terahertz Imaging and Hyperspectral Imaging Combined With Convolutional Neural Network” LINK

“Compositional method for measuring the nutritional label components of industrial pastries and biscuits based on Vis/NIR spectroscopy” PUFA TUFA LINK

Beverage and Drink Industry NIR Usage

“Reliable Discrimination of Green Coffee Beans Species: A Comparison of UV-Vis-Based Determination of Caffeine and Chlorogenic Acid with Non-Targeted Near …” LINK

Laboratory and NIR-Spectroscopy

“Machine vision estimates the polyester content in recyclable waste textiles” LINK


“A spectral analysis of common boreal ground lichen species” LINK

“A 3D-polyphenylalanine network inside porous alumina: Synthesis and characterization of an inorganic–organic composite membrane” LINK

“近赤外分光法と多変量解析を用いた建築用材の識別とその汎化性能向上” LINK

“Implication de la vasopressine dans l’hypoperfusion tissulaire au cours du choc cardiogénique compliquant l’infarctus du myocarde” LINK

“Spectral Characteristics and Application of Synthetic Hydrothermal Red Beryl” LINK

“Structural and optical properties of copper oxide (CuO) nanocoatings as selective solar absorber” LINK

Spectroscopy and Chemometrics News Weekly #30, 2020

NIR Calibration-Model Services

Development of quantitative Multivariate Prediction Models for Near Infrared Spectrometers | NIRS HSI LINK

Spectroscopy and Chemometrics News Weekly 29, 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 29, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 29, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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

Near-Infrared Spectroscopy (NIRS)

“Non-Destructive Determination of Quality Traits of Cashew Apples (Anacardium Occidentale, L.) Using a Portable near Infrared Spectrophotometer” LINK

“Non-destructive classification and prediction of aflatoxin-B1 concentration in maize kernels using Vis–NIR (400–1000 nm) hyperspectral imaging” LINK

“Determination of glucose content with a concentration within the physiological range by FT-NIR spectroscopy in a trans-reflectance mode” LINK

“Evaluating taste-related attributes of black tea by micro-NIRS” LINK

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

“Rapid authentication of Pseudostellaria heterophylla (Taizishen) from different regions by nearinfrared spectroscopy combined with chemometric methods” LINK

“Agronomy, Vol. 10, Pages 828: Estimating Sensory Properties with Near-Infrared Spectroscopy: A Tool for Quality Control and Breeding of Calçots (Allium cepa L.)” LINK

“Spectral observation of agarwood by infrared spectroscopy: The differences of infected and normal Aquilaria microcarpa” LINK

“Quantitative near infrared spectroscopic analysis of Tricholoma matsutake based on information extraction using the elastic net” LINK

“Visible-near infrared spectroscopy for detection of blood in sheep faeces” LINK

” … dans le proche infrarouge et techniques de chimiométrie Detection of addition of barley to coffee using near infrared spectroscopy and chemometric techniques” LINK

“Forests, Vol. 11, Pages 644: A Comparison of the Loading Direction for Bending Strength with Different Wood Measurement Surfaces Using Near-Infrared Spectroscopy” LINK

“Rapid assessment of soil condition in Kenya through development of near infrared spectral indicatators” LINK

Chemometrics and Machine Learning

“Determination of apple varieties by near infrared reflectance spectroscopy coupled with improved possibilistic Gath–Geva clustering algorithm” LINK

“Two-Dimensional Correlation Spectroscopy: The Power of Power Spectra” LINK

“Simple and fast spectrophotometric method based on chemometrics for the measurement of multicomponent adsorption kinetics” LINK

“Real time detection of amphetamine in oral fluids by MicroNIR/Chemometrics.” LINK

“In‐vitro digestion of the bioactives originating from the Lamiaceae family herbal teas: A kinetic and PLS modeling study” LINK

“Models for predicting the within-tree and regional variation of tracheid length and width for plantation loblolly pine” LINK

Research on Spectroscopy

“Study on rapid quality analysis method of Shengxuebao Mixture” LINK

“MD dating: molecular decay (MD) in pinewood as a dating method” LINK

Altersbestimmung von Holz mittels FTIR-Spektroskopie: Durch die Zusammenarbeit von Holz-, Materialwissenschaftler*innen und Statistikern konnte nach über 70 Jahren eine dritte Datierungsmethode neben der Jahrringanalyse und der Radiokarbonmethode im… LINK

Equipment for Spectroscopy

“Quality assessment of instant green tea using portable NIR spectrometer.” LINK

Process Control and NIR Sensors

“From powder to tablets: Investigation of residence time distributions in a continuous manufacturing process train as basis for continuous process verification” LINK

“Non-destructive, non-invasive, in-line real-time phase-based reflectance for quality monitoring of fruit” LINK

Agriculture NIR-Spectroscopy Usage

“Estimating soil organic carbon density in Northern China’s agro-pastoral ecotone using vis-NIR spectroscopy” LINK

“Retrieval of aboveground crop nitrogen content with a hybrid machine learning method” LINK

“Prediction of Soil Oxalate Phosphorus using Visible and Near-Infrared Spectroscopy in Natural and Cultivated System Soils of Madagascar” LINK

“Sensors, Vol. 20, Pages 3208: Precise Estimation of NDVI with a Simple NIR Sensitive RGB Camera and Machine Learning Methods for Corn Plants” LINK

“The application of R language in the selection of characteristic bands for the prediction of protein content in milk powder by Near Infrared Spectroscopy” LINK

“Onsite nutritional diagnosis of tea plants using micro near-infrared spectrometer coupled with chemometrics” LINK

Horticulture NIR-Spectroscopy Applications

“Improving the accuracy of near-infrared (NIR) spectroscopy method to predict the oil content of oil palm fresh fruits” LINK

Laboratory and NIR-Spectroscopy

“Non-destructive determination of apple quality parameters of variety’red jonaprince’using near infrared spectroscopy.” LINK

“Laboratory Methods for Evaluating Forage Quality” LINK


“Automatic Walnut Sorting System Based on Adaptive Fuzzy Control” LINK

“Industrial gas chromatographs” LINK

How to Develop and use your NIR Calibration Models to get useful Results

1. We transform your NIR+Lab data into ready-to-use calibrations.

2. Just send your calibration-request created with free NIR-Predictor to us.

3. When your calibration is developed and optimized you receive a link to download it.

4. You can use the calibration to predict with free NIR-Predictor as many NIR data files as you like without internet.

NIR Calibration Service explained

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  • to do it yourself
  • different software from NIR vendors to get results
  • an expensive Chemometric software license
  • the hassle of software protection dongles
  • a training course to how to use the Chemometric software
  • a multivariate data analysis training course
  • all the complex mathematical / statistical / chemometric / machine learning experts know-how
  • to read all the books and papers about it
  • a strong fast computer with expensive graphics cards to calculate and optimize the calibrations
  • to install always changing open source software
  • to programming scripts to automate missing things
  • to believe the myths that’s impossible to automatically create good reliable calibrations

Discover what is possible with your NIR+Lab data

Spectroscopy and Chemometrics News Weekly #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)


“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


“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


Professional NIR-Spectroscopy Chemometric Data Science as a Service

CalibrationModel.com is a Professional Development of
NIR-Spectroscopic Chemometric Calibration Models as a Service.

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    NIR Calibration Model Service explained

    Cost comparison / Price comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy

    Reduce Operating Costs and Total Cost of Ownership (TCO) of NIR-Spectroscopy (NIRS) in the Digitalization Age.
    NIR-Spectroscopy (NIRS) - Reduce cost, Increase revenue
    Reduce Cost by automated NIR development.
    Increase Revenue by higher accuracy NIR results.

    CalibrationModel.com (CM) versus Others

    Costs are not everything, there are other important factors listed in the table.

    CM fix € pricing (approx.) Others € Price Range (approx.)
    Chemometric Package not‑needed
    €3500 – €6500 per user
    Chemometric Predictor
    €1500 – €2500 per NIR device
    Chemometric Training not‑needed
    €1500 – €2500 per user
    Chemometrician* Salary not‑needed
    1 years Salary / year
    (+ risk of Employee Turnover)
    Powerful Computer (many Processors, lot of RAM for big data) not‑needed
    €1500 – €4500 per computer
    Development and Usage
    Development of a Calibration
    €80 – €150 / hour
    of Chemometrician* using a Chemometric Software (click and wait) and applying it’s knowledge
    Usage of a Calibration
    €60 / year
    Total €178 in first year
    €60 in second year
    initial (min €8000 , max €15500)
    + 2 * (2 – 4)(hour to cost same! as CM service) * (€80 – €150) Chemometrician* work
    no initial cost
    very high initial costs
    no personnel cost
    high personnel* costs
    constant CM services
    risk of Employee Turnover
    global knowledge
    risk of only use personal knowledge
    easy to calculate fix cost on demand
    difficult to calculate variable cost on demand plus Chemometrician* Recruitment needed
    Results :
    calibration prediction performance
    always reproducible highly optimized
    only as good as your Chemometrician* daily condition
    better prediction performance, due to best-of 10’000x calibrations
    small size of experiments, non-optimal calibrations

    See also: pricing

    Start Calibrate

    *) Personnel / Chemometrician / Data Scientist / Data Analyst / Machine Learning Engineer : We are not against it, we are one of them a long time ago, but the way the work is done is changing (see below).

    2019 Digitalization and the Future of Work: Macroeconomic Consequences
    2019 The Digitalization of the American Workforce
    2017 Digitalization and the American workforce , full-report

    Professional Development of NIR‑Spectroscopic Chemometric Calibration Models as a Service

    In a nutshell (TL;DR) : spectroscopy calibration service and for which users is it suitable?

    From your NIR + Lab data, we develop optimal NIR-Calibrations for you.
    • For any NIR spectrometer.
    • You don’t need a Chemometric or Math software!
    It’s Your Data and Your Calibration.
    • You can anonymize your NIR + Lab data before sending.
    • We delete your NIR + Lab data after processing.
    • Only you get download access to your Calibrations.
    Download the Calibrations.
    • You can see the Calibrations performance statistics.
    • You can try the Calibrations before you buy.
    • Fix cost per Calibration development and use. Paid on download.
    Use the free NIR-Predictor Software tooling to
    • Check which of your NIR Spectral Data Formats is supported.
    • Combine your NIR + Lab data and create your Calibration Request.
    • Use your Calibrations to create Analysis Reports from new NIR data of measured samples.

    For all NIR Spectrometers.

    Use our included free NIR-Predictor software to create results!
    Now new with native File Format support of mobile NIR instruments!

    With the NIR-Predictor software,
    you can use your NIRS calibration files locally and offline.

    That means you can predict as much NIR data as you want,
    at full speed without waiting at no extra cost
    (it’s NOT a cloud prediction where you pay per result).

    The NIR-Predictor shows which samples should be sent to the laboratory for reference analysis in order to complete the data for the next calibration.
    This minimizes the laboratory effort and further costs. This is based on the fact that sample spectra that are foreign to the calibration are marked as outliers in the prediction report generated by the NIR-Predictor. This way, these samples can be analyzed in the laboratory and used to enhance the NIR + Lab data.

    You don’t need a Chemometric Software.

    NIR Calibration Service explained

    See detailed Price List

    Start Calibrate


    It Enables





    Our Knowhow

    Why you can Trust us

    • Try before you buy with : free NIR-Predictor software included
    • Off-line predictions with NIR-Predictor, your data will not go into the cloud.
    • Data Privacy :
      General Data Protection Regulation (GDPR)
      Datenschutz-Grundverordnung (DSGVO)
    • We delete your data after processing : Terms of Service
    • Optionally data can be anonymized : Anonymizer Software
    • Swiss Quality Service and Software made in Switzerland
    What our service provides is also known as:
    • NIR chemometric analytical method development
    • NIR chemometric analysis method development
    • NIR Spectrometric analytical method development
    • NIR Spectroscopic analytical method development
    • NIR spectrometry analytical method development
    • NIR spectrometry analysis method development
    • NIR Spectroscopic Analysis Methods Development
    • NIR spectral analysis methods development
    • NIR Spectrometry Analysis Methods Development
    • NIR Spectroscopy Analysis Methods Creation
    • Development of chemometric analysis methods in the NIR range
    • Development of chemometric analysis methods in the NIRS range
    • NIR Spectrometric analytical method development
    • NIR Spectrometric Analysis Method Development
    • NIRS Spectroscopic Analysis Method Development
    • NIR Development of spectroscopic analysis methods
    • Development of analytical methods of NIR spectrometry
    • NIR spectrometry analysis method development