Spectroscopy and Chemometrics News Weekly #13, 2020


We have updated the free NIR-Predictor-Software Spectral Data format support list for many mobile and benchtop NIR Spectroscopy Sensors. | Used in QualityControl for Food Fruits Milk Meat LINK

CalibrationModel.com has changed the pricing structure and NIRS-Calibration licensing options (including new perpetual and unlimited systems). NIR Spectroscopy Chemometric AutoML Calibration Development Service milk meet food qualitycontrol LINK

“NIR-Spectroscopy Cost & Price Comparison of Chemometrics, MachineLearning and DataScience for NIRS Application Development” | HomeOffice Laboratory Spectroscopy TimeSaving BetterResults TCO LINK

Do you want better NIRS prediction results? Use your Near-Infrared Analysis data and do recalibration adjustment LINK

Spectroscopy and Chemometrics News Weekly 12, 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 12, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot FoodTech Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie LINK

Spettroscopia e Chemiometria Weekly News 12, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

Near Infrared

The journal Sensors (ISSN 1424-8220) is currently running a Special Issue  “Using Vis-NIR Spectroscopy for Predicting Quality Compounds in Foods” LINK

“Application of NIRS in Nutrient Composition Evaluation of Lathyrus sativus” LINK

“Forecasting the potential of apple fruitlet drop by in-situ Vis-NIR spectroscopy” LINK

“Near infrared spectroscopy (NIRS) data analysis for a rapid and simultaneous prediction of feed nutritive parameters” LINK

“Evaluation by NIRS technology of curing process of ham with low sodium content” LINK

“Optical transmission spectra study in visible and near-infrared spectral range for identification of rough transparent plastics in aquatic environments.” LINK

“Sensors, Vol. 20, Pages 874: Improved Deep CNN with Parameter Initialization for Data Analysis of Near-Infrared Spectroscopy Sensors” LINK

“Terahertz Time of Flight Spectroscopy as a Coating Thickness Reference Method for Partial Least Squares Near Infrared Spectroscopy Models.” LINK

“Quantitative detection of apple watercore and soluble solids content by near infrared transmittance spectroscopy” LINK

“Glucose Monitoring in Cell Culture with Online Ultrasound-Assisted Near-Infrared Spectroscopy.” LINK

“Development of nearinfrared online grading device for long jujube” LINK

“Nearinfrared reflectance spectroscopy based online moisture measurement in copra” LINK

“Remote Sensing, Vol. 12, Pages 469: Repaid Identification and Prediction of CadmiumLead Cross-Stress of Different Stress Levels in Rice Canopy Based on Visible and Near-Infrared Spectroscopy” LINK

“In vivo relationship between near-infrared spectroscopy-detected lipid-rich plaques and morphological plaque characteristics by optical coherence tomography and …” LINK

“The Kinetic Model of the Peel Brittleness of Stored Cucumis Melons Based on Visible/Near-Infrared Spectroscopy” LINK

Hyperspectral Imaging

“Applied Sciences, Vol. 10, Pages 1173: Rapid and Nondestructive Discrimination of Geographical Origins of Longjing Tea using Hyperspectral Imaging at Two Spectral Ranges Coupled with Machine Learning Methods” LINK

“Remote Sensing, Vol. 12, Pages 537: Detecting the Sources of Methane Emission from Oil Shale Mining and Processing Using Airborne Hyperspectral Data” LINK

“Comparative analysis of mineral mapping for hyperspectral and multispectral imagery” LINK


“Comparison of the performance of partial least squares and support vector regressions for predicting fatty acids/fatty acid classes in marine oil dietary supplements using vibrational spectroscopic data.” LINK

“Prediction of water contents in biscuits using near infrared hyperspectral imaging spectroscopy and chemometrics” LINK

“Vis-NIR Hyperspectral Imaging for the Classification of Bacterial Foodborne Pathogens based on pixel-wise analysis and a novel CARS-PSO-SVM model” LINK

“Using the random forest model and validated MODIS with the field spectrometer measurement promote the accuracy of estimating aboveground biomass and …” LINK


“A spatially resolved transmittance spectroscopy system for detecting internal rots in onions” LINK


“Use of a handheld near infrared spectrometer and partial least squares regression to quantify metanil yellow adulteration in turmeric powder” LINK


“Remote Sensing, Vol. 12, Pages 574: Advancing High-Throughput Phenotyping of Wheat in Early Selection Cycles” LINK

“Evaluation of analytical and statistical approaches for predicting in vitro nitrogen solubility and in vivo pre-caecal crude protein digestibility of cereal grains in growing pigs.” LINK

“Detecting Frost Stress in Wheat: A Controlled Environment Hyperspectral Study on Wheat Plant Components and Implications for Multispectral Field Sensing” LINK

“Sensors, Vol. 20, Pages 867: Predicting Forage Quality of Warm-Season Legumes by Near Infrared Spectroscopy Coupled with Machine Learning Techniques” LINK

On their page, they offer a “Purchase Instant Access”. Or contact the author. LINK

“Detection of Invisible Damage of Kiwi Fruit Based on Hyperspectral Technique” LINK

“Nondestructive detection of storage time of strawberries using visible/near-infrared hyperspectral imaging” LINK

“Scaling up of NIRS facility in Mali for analysis of biomass quality for GLDC crops Final Technical Report” LINK

Food & Feed

“Comparison of various pharmaceutical properties of clobetasol propionate cream formulations – considering stability of mixture with moisturizer.” LINK

“Foods, Vol. 9, Pages 154: Rapid Identification and Visualization of Jowl Meat Adulteration in Pork Using Hyperspectral Imaging” LINK


What Lab Manager need to know about NIRSpectroscopy total cost of ownership (TCO) and DataScience. LabManagers LabManager FoodQuality Automate QualityControl foodtech foodtechnologies Laboratory LINK


Spectroscopy and Chemometrics News Weekly #50, 2019


Total cost of ownership (TCO) of NIR-Spectroscopy Systems in the Age of Digitalization – Compare Operating Costs of NIRS LINK

Spectroscopy and Chemometrics News Weekly 49, 2019 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 49, 2019 | NIRS NIR Spektroskopie MachineLearning Spektrometer Sensor Nahinfrarot LaborAnalytik Analysengeräte Analysentechnik Analysemethode Labor Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 49, 2019 | NIRS NIR Spettroscopia MachineLearning 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 – 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

” Raman Spectroscopy and NIR Spectroscopy as Possible AID in Localisation of Solitary Pulmonary Nodules” LINK

NIR spectroscopy has potential for rapid on farm analysis of slurry nutrient content. Wouter Saeys, IFSConf LINK

“Modeling for SSC and Firmness Detection of Persimmon Based on NIR Hyperspectral Imaging by Sample Partitioning and Variables Selection” LINK

” Application of the NIR Spectroscopy in the Researches of Orthopedics Diseases” LINK

“FT-NIR による油脂の迅速な品質管理” LINK

“Accuracy improvement of quantitative analysis in VIS-NIR spectroscopy using the GKF-WTEF algorithm.” LINK

“Rapid determination of the content of digestible energy and metabolizable energy in sorghum fed to growing pigs by near-infrared reflectance spectroscopy.” LINK

“Characterization of the Processing Conditions upon Textural Profile Analysis (TPA) Parameters of Processed Cheese Using Near-Infrared Hyperspectral Imaging” LINK

“Total aromatics of diesel fuels analysis by deep learning and near-infrared spectroscopy” LINK

“Rapid Assessment of Soil Quality Indices Using Infrared Reflectance Spectroscopy” LINK

“Quantitative Determination of the Fiber Components in Textiles by Near-Infrared Spectroscopy and Extreme Learning Machine” LINK

“Non-Destructive Method for Predicting Sapodilla Fruit Quality Using Near Infrared Spectroscopy” LINK

“Qualitative analysis for sweetness classification of longan by near infrared hyperspectral imaging” LINK


“Hyperspectral Characteristics of Coastal Saline Soil with Visible/near Infrared Spectroscopy” LINK

“Monitoring Soil Surface Mineralogy at Different Moisture Conditions Using Visible Near-Infrared Spectroscopy Data” LINK

“Near infrared spectroscopy for assessing mechanical properties of Castanea sativa wood samples” Modulus of elasticity LINK

” Development of near-infrared spectroscopic sensing system for online real-time monitoring of milk quality during milking” LINK

” Advances in Near-Infrared Spectroscopy and Related Computational Methods” LINK

“Morphological, Physicochemical and FTIR Spectroscopic Properties of Bee Pollen Loads from Different Botanical Origin” LINK

“Fourier transform infrared imaging and quantitative analysis of pre-treated wood fibers: A comparison between partial least squares and multivariate curve resolution with alternating least squares methods in a case study” LINK

“Antioxidant Activity of Blueberry (Vaccinium spp.) Cultivar Leaves: Differences Across the Vegetative Stage and the Application of Near Infrared Spectroscopy.” LINK


“Development of Simplified Models for Nondestructive Testing of Rice with Husk Starch Content Using Hyperspectral Imaging Technology” LINK

Spectral Imaging

“Model for estimation of total nitrogen content in sandalwood leaves based on nonlinear mixed effects and dummy variables using multispectral images” LINK

“Sources of Variation in Assessing Canopy Reflectance of Processing Tomato by Means of Multispectral Radiometry” LINK


“Sampling for spectroscopic analysis: consequences for multivariate calibration” LINK

“Combination of hyperspectral sensing images and chemometrics for measuring tensile strength indices of organic plastic sheeting in the field” LINK

” Comparison of prediction power of three multivariate calibrations for estimation of leaf anthocyanin content with visible spectroscopy in Prunus cerasifera” LINK

” Prediction of quality parameters of food residues using NIR spectroscopy and PLS models based on proximate analysis” LINK

“Pre-processing spectroscopic data: for good or ill?” LINK

Process Control

“Optimization of pickled herring production-Approaches for process and quality control-DTU Orbit (26/09/2019)” LINK


“Response surface methodology for optimizing LIBS testing parameters: A case to conduct the elemental contents analysis in soil” LINK


“Rapid detection of cAMP content in red jujube using near-infrared spectroscopy” LINK

“Rapid identification of pathogenic bacteria using Raman spectroscopy and deep learning.” LINK


“Determination of Carvacrol Content in Alaska Yellow Cedar (Callitropsis nootkatensis) Extractives” LINK

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

CalibrationModel.com (CM) versus Others

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

CM fix € pricing 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