Spectroscopy and Chemometrics News Weekly #3, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 2, 2021 | 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 2, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 2, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“On the discrimination of soil samplesby derivative diffuse reflectance UV-Vis-NIR spectroscopy and Chemometric methods” LINK

“Quantitative Analysis of Organic Acids in Pomelo Fruit using FT-NIR Spectroscopy Coupled with Network Kernel PLS Regression” LINK

“Determination of foliar nitrogen in oil palm with spectroscopy in the middle infrared (MIR) and near infrared (NIR) by the method of regression of partial least squares of …” LINK

“Low-cost handheld NIR spectroscopy for identification of organic solvents and low-level quantification of water contamination.” LINK

“Prediction of Andrographolide Content in Andrographis paniculata Using NIR Spectroscopy” LINK

“Non-Destructive Prediction of Moisture Content of Philippine Coffea arabica and Coffea liberica Green Beans Using Locally-Developed NIR Spectroscopy Instrument” LINK

“Rapid and nondestructive evaluation of soluble solids content (SSC) and firmness in apple using Vis–NIR spatially resolved spectroscopy” LINK

“Detection of Flavor Adulterated Pu”er Tea by Near-Infrared Spectroscopy” LINK




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

“Near infrared spectroscopy model for analyzing chemical composition of biomass subjected to Fenton oxidation and hydrothermal treatment” LINK

“Texture evaluation of cooked parboiled rice using nondestructive milled whole grain near infrared spectroscopy” LINK

“Hyperspectral measurement of skin reflectance detects differences in the visible and nearinfrared regions according to race, gender, and body site.” LINK

“Effects of polymer molecular weight on curcumin amorphous solid dispersion; at-line monitoring system based on attenuated total reflectance mid-infrared and near-infrared spectroscopy” LINK

“Near-infrared hyperspectral imaging for monitoring the thickness distribution of thin poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) layers.” LINK

“Improved prediction of potassium and nitrogen in dried bell pepper leaves with visible and near-infrared spectroscopy utilising wavelength selection techniques” LINK

“Identification of Aspergillus species in human blood plasma by infrared spectroscopy and machine learning” LINK

“PLS-DA and Infrared Spectroscopy based rapid and non-destructive discrimination of black ball and gel pen inks for forensic application” forensic LINK

” Analysis of Glycated Hemoglobin by Near-Infrared Spectroscopy” LINK




Hyperspectral Imaging (HSI)

“Spectral feature selection from hyperspectral dataset to identify pistachio leaves infected by Psylla” LINK




Chemometrics and Machine Learning

“Classification of Megathyrsus maximus Accessions Grown in The Colombian Dry Tropical Forest by Nutritional Assessment during contrasting seasons” LINK

“A global calibration model for prediction of intramuscular fat and pH in red meat using hyperspectral imaging” LINK

“Application of near-infrared spectroscopy and chemometrics for the rapid quality assessment of Sargassum fusiforme” LINK

“Comparison of Soil Total Nitrogen Content Prediction Models Based on Vis-NIR Spectroscopy” LINK

“An efficient tea quality classification algorithm based on near infrared spectroscopy and random Forest” LINK

“NIR spectroscopy fruit quality detection algorithm based on the least angle regression model” LINK




Process Control and NIR Sensors

“Free radical detection in water after processing by means of high voltage electrical discharges and high power ultrasound” LINK




Environment NIR-Spectroscopy Application

“Image and Point Data Fusion for Enhanced Discrimination of Ore and Waste in Mining” Minerals LINK




Agriculture NIR-Spectroscopy Usage

“Design of storage time identification system of lettuce based on Adaboost” LINK




Horticulture NIR-Spectroscopy Applications

“Determination of pectin in peach fruit by Fourier transform near infrared spectroscopy.” LINK




Food & Feed Industry NIR Usage

“Lipid and Protein Oxidation Marker Compounds in Horse Meat Determined by MIR Spectroscopy” LINK




Beverage and Drink Industry NIR Usage

“Physical and Chemical Effects of Different Working Gases in Coffee Brewing: A Case Study of Caffè Firenze” LINK

“Simultaneous Determination of Caffeine and Taurine in Energy Drinks by FT-MIR Spectroscopy Coupled with Multivariate Analysis” LINK




Laboratory and NIR-Spectroscopy

“Accurate confidence intervals for inter-laboratory calibration and common mean estimation” LINK




Other

“Alteration in the Amount of Glomalin in Transition from Forest to Field/Meadow” 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?

Try, we have the solution for you!
You have the NIR, scan the samples, you have the lab values and the spectra, we calibrate for you!

To see if the application is possible and how precise it can be due to knowledge based intensive model optimizations.

We do the NIR feasibility study with data for you. Fixed prices

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.

Bring the Lab to the sample. To avoid sample transport and get immediate results for decision at the place or in the process.

Just try the NIR application, use the NIR daily, collect data in parallel, we develop, optimize and maintain the calibration models for you.

How do you think?

Start Calibrate


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 #37, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 36, 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 36, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 36, 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)

“NIR Spectroscopic Techniques for Quality and Process Control in the Meat Industry” LINK

“Estimating coefficient of linear extensibility using Vis–NIR reflectance spectral data: Comparison of model validation approaches” LINK

“NIR spectroscopy and chemometric tools to identify high content of deoxynivalenol in barley” LINK

“Combining multivariate method and spectral variable selection for soil total nitrogen estimation by Vis–NIR spectroscopy” LINK

“Multi-task deep learning of near infrared spectra for improved grain quality trait predictions” LINK

“Multi-factor Fusion Models for Soluble Solid Content Detection in Pear (Pyrus bretschneideri ‘Ya’) Using Vis/NIR Online Half-transmittance Technique” LINK

“Determining regression equations for predicting the metabolic energy values of barley-producing cultivars in Iran and comparing the results with the results of NIRS method and cultivars …” LINK

“Using Near-Infrared Reflectance Spectroscopy (NIRS) to Predict Glucobrassicin Concentrations in Cabbage and Brussels Sprout Leaf Tissue” LINK

“Near-Infrared Spectroscopy for Analyzing Changes of Pulp Color of Kiwifruit in Different Depths” LINK

“Novel NIR modeling design and assignment in process quality control of Honeysuckle flower by QbD” LINK




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

“Near-infrared spectroscopy to determine cold-flow improver concentrations in diesel fuel” LINK

“Improving spatial synchronization between X-ray and near-infrared spectra information to predict wood density profiles” LINK

“Functional principal component analysis for near-infrared spectral data: a case study on Tricholoma matsutakeis” LINK

“Midinfrared spectroscopy as a tool for realtime monitoring of ethanol absorption in glycols” LINK

“Inline characterization of dispersion uniformity evolution during a twinscrew blending extrusion based on nearinfrared spectroscopy” LINK

“Development of Fourier Transform near Infrared Spectroscopy Methods for the Rapid Quantification of Starch and Cellulose in Mozzarella and Other Italian-Type CHEESES” LINK

“Prediction of Anthocyanin Content in Three Types of Blueberry Pomace by Near-Infrared Spectroscopy” LINK

“Sweetness Detection and Grading of Peaches and Nectarines by Combining Short-and Long-Wave Fourier-Transform Near-Infrared Spectroscopy” LINK




Spectral Imaging

“Use of UAS Multispectral Imagery at Different Physiological Stages for Yield Prediction and Input Resource Optimization in Corn” Remote Sensing LINK




Chemometrics and Machine Learning

“Combination of visible reflectance and acoustic response to improve nondestructive assessment of maturity and indirect prediction of internal quality of redfleshed pomelo” LINK

“Green Analytical Methods of Antimalarial Artemether-Lumefantrine Analysis for Falsification Detection Using a LowCost Handled NIR Spectrometer with DD-SIMCA and Drug Quantification by HPLC” LINK

“Data fusion of UPLC data, NIR spectra and physicochemical parameters with chemometrics as an alternative to evaluating kombucha fermentation” LINK

“Effect of physicochemical factors and use of milk powder on milk rennet-coagulation: Process understanding by near infrared spectroscopy and chemometrics” LINK

“A Digital Approach to Model Quality and Sensory Traits of Beers Fermented under Sonication Based on Chemical Fingerprinting” LINK

“Latent Variable Graphical Modeling for High Dimensional Data Analysis” LINK




Equipment for Spectroscopy

“Evaluation of Salmon, Tuna, and Beef Freshness Using a Portable Spectrometer” Sensors LINK

“Developing a soil spectral library using a low-cost NIR spectrometer for precision fertilization in Indonesia” LINK

“Compact Solid Etalon Computational Spectrometer: FY19 Optical Systems Technology Line-Supported Program” LINK




Agriculture NIR-Spectroscopy Usage

“Detection of Melamine Adulteration in Milk Powder by Using Optical Spectroscopy Technologies in the Last Decade—a Review” LINK




Horticulture NIR-Spectroscopy Applications

“Accurate non-destructive prediction of peach fruit internal quality and physiological maturity with a single scan using near infrared spectroscopy” LINK

“Recent Advances in Spectral Analysis Techniques for Non-Destructive Detection of Internal Quality in Watermelon and Muskmelon: A Review” “光谱分析在西甜瓜内部品质无损检测中的研究进展” LINK




Food & Feed Industry NIR Usage

“Detection of fraud in highquality rice by nearinfrared spectroscopy” LINK

“Detecting food fraud in extra virgin olive oil using a prototype portable hyphenated photonics sensor” LINK

“Nondestructive detection of sunset yellow in cream based on near-infrared spectroscopy and interval random forest” LINK




Other

“The Detection of Substitution Adulteration of Paprika with Spent Paprika by the Application of Molecular Spectroscopy Tools.” LINK

“The Effect of Monomers on the Recognition Properties of Molecularly Imprinted Beads for Proto-hypericin and Proto-pseudohypericin” | FLOREA GAVRILA 1 20.pdf LINK





.

Spectroscopy and Chemometrics News Weekly #36, 2020

NIR Calibration-Model Services

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


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

Spectroscopy and Chemometrics News Weekly 35, 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 35, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 35, 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)

“Estimating Roughage Quality with Near Infrared Reflectance (NIR) Spectroscopy and Chemometric Techniques” LINK

“Detection of Insect Damage in Green Coffee Beans Using VIS-NIR Hyperspectral Imaging” LINK

“Revisiting Water Speciation in Hydrous Alumino-Silicate glasses: A Discrepancy between Solid-state 1H NMR and NIR spectroscopy in the Determination of X-OH …” LINK

“Prediction of Organic Carbon Content of Intertidal Sediments Based on Visible-Near Infrared Spectroscopy” “可见-近红外光谱的潮间带沉积物有机碳含量的几种模型预测方法” LINK




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

“Predicting soil phosphorus and studying the effect of texture on the prediction accuracy using machine learning combined with near-infrared spectroscopy” LINK

“CIC nanoGUNE reaches new depths in infrared nanospectroscopy” LINK

“Distinguishing Hemp from Marijuana by Mid-Infrared Spectroscopy” LINK

“Glucobrassicin Enhancement Using Low Red to Far-Red Light Ratio in ‘Ruby Ball’ Cabbage and High-Throughput Glucobrassicin Estimation Using Near-Infrared …” LINK

“Near-infrared spectroscopy outperforms genomic selection for predicting sugarcane feedstock quality traits” LINK

“Estimation of critical nitrogen contents in peach orchards using visible-near infrared spectral mixture analysis” LINK

“Non-destructive and rapid measurement of sugar content in growing cane stalks for breeding programmes using visible-near infrared spectroscopy” LINK

“Quantitative Analysis of Protein and Polysaccharide in Lilium Lanzhou Based on Near Infrared Spectroscopy” LINK

“Time-stretch infrared spectroscopy” LINK

“Using near infrared reflectance spectroscopy for estimating nutritional quality of Brachiaria humidicola in breeding selections” LINK

“Quantification of phenolic acids by partial least squares Fouriertransform infrared (PLSFTIR) in extracts of medicinal plants” LINK




Chemometrics and Machine Learning

“Predicting adulteration of Palm oil with Sudan IV dye using shortwave handheld spectroscopy and comparative analysis of models” LINK

“Self-adaptive models for predicting soluble solid content of blueberries with biological variability by using near-infrared spectroscopy and chemometrics” LINK

“Rapid identification and quantitative pit mud by near infrared Spectroscopy with chemometrics” LINK

“Methane emission detection and flux quantification from exploratory hydraulic fracturing in the United Kingdom, using unmanned aerial vehicle sampling” LINK




Research on Spectroscopy

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

“Improved Dimensional Stability and Mold Resistance of Bamboo via In Situ Growth of Poly(Hydroxyethyl Methacrylate-N-Isopropyl Acrylamide)” Polymers LINK




Equipment for Spectroscopy

“Applied Sciences, Vol. 10, Pages 4896: A Novel Single-Channel Arrangement in Chirp Transform Spectrometer for High-Resolution Spectrum Detection” LINK




Agriculture NIR-Spectroscopy Usage

“Angle Distribution Measurement of Scattered Light Intensity from Needle-shaped Crystals in a Magnetic Field for Gout Diagnosis” LINK

“Use of barley silage or corn silage with dry-rolled barley, corn, or a blend of barley and corn on predicted nutrient total tract digestibility and growth performance of …” LINK

“Identification of Leaf-Scale Wheat Powdery Mildew (Blumeria graminis f. sp. Tritici) Combining Hyperspectral Imaging and an SVM Classifier” Plants LINK

“Smartphone-supported portable micro-spectroscopy/imaging system to character morphology and spectra of samples at microscale” LINK

“Novel Antioxidant Packaging Films Based on Poly(-Caprolactone) and Almond Skin Extract: Development and Effect on the Oxidative Stability of Fried Almonds” LINK

“Applied Sciences, Vol. 10, Pages 4907: Experimental Comparison of Diesel and Crude Rapeseed Oil Combustion in a Swirl Burner” LINK

“Molecules, Vol. 25, Pages 3260: Comparison of Bioactive Phenolic Compounds and Antioxidant Activities of Different Parts of Taraxacum mongolicum” LINK




Horticulture NIR-Spectroscopy Applications

“Application of a Vis-NIR Spectroscopic Technique to Measure the Total Soluble Solids Content of Intact Mangoes in Motion on a Belt Conveyor” LINK




Forestry and Wood Industry NIR Usage

“Online analysis of wood extractives” LINK




Food & Feed Industry NIR Usage

Near-Infrared Spectroscopy as a Beef Quality Tool to Predict Consumer Acceptance” Foods LINK

“Rapid Vitality Estimation and Prediction of Corn Seeds Based on Spectra and Images Using Deep Learning and Hyperspectral Imaging Techniques” LINK

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

“A simple design for the validation of a FT-NIR screening method: Application to the detection of durum wheat pasta adulteration.” LINK




Laboratory and NIR-Spectroscopy

In-line UV-Vis Spectroscopy Market Research Report 2019-2030 | Industry Report, Industry …: Success of this technology depends on the in-depth knowledge of the link between optical instrumentation design and its effect on data quality. LINK




Other

“The Detection of Substitution Adulteration of Paprika with Spent Paprika by the Application of Molecular Spectroscopy Tools” LINK

“Non-destructive Detection of Apple Maturity by Constructing Spectral Index based on Reflectance Spectrum” LINK





Spectroscopy and Chemometrics News Weekly #34, 2020

NIR Calibration-Model Services

Got a NIRspectrometer and need help for application development? chemometrics multivariate prediction NIRS LINK

Spectroscopy and Chemometrics News Weekly 33, 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 33, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 33, 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)

“Using visible near-infrared reflectance spectroscopy (VNIRS) of lake sediments to estimate historical changes in cyanobacterial production: potential and challenges” LINK

“Inversion of soil heavy metals in Guanzhong area of Shaanxi based on VIS-NIR spectroscopy” LINK




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

“In-field measurement of starch content of cassava tubers using handheld vis-near infrared spectroscopy implemented for breeding programmes” LINK

“Near-infrared reflectance spectroscopy-based fast versicolorin A detection in maize for early aflatoxin warning and safety sorting.” LINK

“Egg freshness prediction using a comprehensive analysis based on visible near infrared spectroscopy” LINK

“Infrared spectroscopy approaches support soil organic carbon estimations to evaluate land degradation” LINK

“Signal-to-Noise Ratio Contributors and Effects in Proximal Near-Infrared Spectral Reflectance Measurement on Plant Leaves” LINK

“Non-destructive analysis of Japanese table grape qualities using near-infrared spectroscopy” LINK

“Classifying Cannabis Sativa Flowers, Stems and Leaves using Statistical Machine Learning with Near-Infrared Hyperspectral Reflectance Imaging” LINK

“Near infrared spectroscopy to evaluate change in color and chemical composition in heat-treated bamboo” LINK

“Mid-Infrared Reflectance Spectroscopy of Oil Sands Minerals Based on Tunable Quantum Cascade Lasers” LINK

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

“Near-Infrared Reflectance Spectroscopy-based Fast Versicolorin A Detection in Maize for Early Aflatoxin Warning and Safety Sorting” LINK

“Near-Infrared Spectroscopy in Bio-Applications” LINK




Raman Spectroscopy

“Sensors, Vol. 20, Pages 3723: High-Throughput Phenotyping Approach for Screening Major Carotenoids of Tomato by Handheld Raman Spectroscopy Using Chemometric Methods” LINK

“Chemical Bleaching to Minimize Fluorescence Interference in Raman Spectroscopic Measurements for Sulfonated Polystyrene Solutions” LINK




Hyperspectral Imaging (HSI)

“Comparison between Hyperspectral Imaging and Chemical Analysis of Polyphenol Oxidase Activity on Fresh-Cut Apple Slices” LINK




Chemometrics and Machine Learning

“Food Quality Assessed by Chemometrics” LINK

“Foods, Vol. 9, Pages 880: HPLC-Based Chemometric Analysis for Coffee Adulteration” LINK

“Foods, Vol. 9, Pages 876: Non-Targeted Detection of Adulterants in Almond Powder Using Spectroscopic Techniques Combined with Chemometrics” LINK

“Model-Based Process Optimization for the Production of Macrolactin D by Paenibacillus polymyxa” LINK

“Rapid detection model of Bacillus subtilis in solid-state fermentation of rapeseed meal” LINK

“Machine Learning Modeling of Wine Sensory Profiles and Color of Vertical Vintages of Pinot Noir Based on Chemical Fingerprinting, Weather and Management Data.” LINK

“Comparison of Individual and Integrated Inline Raman, Near-Infrared, and Mid-Infrared Spectroscopic Models to Predict the Viscosity of Micellar Liquids” LINK

“Identification and Quantification of Adulterants in Coffee (Coffea arabica L.) Using FT-MIR Spectroscopy Coupled with Chemometrics” Foods LINK




Equipment for Spectroscopy

“Rapid and Robust OnScene Detection of Cocaine in Street Samples using a Handheld Near Infrared Spectrometer and Machine Learning Algorithms” LINK

“Micro-Electro-Mechanical System Fourier Transform Infrared (MEMS FT-IR) Spectrometer Under Modulated–Pulsed Light Source Excitation” LINK




Agriculture NIR-Spectroscopy Usage

“RobHortic: A Field Robot to Detect Pests and Diseases in Horticultural Crops by Proximal Sensing” Agriculture LINK

“… Agriculture Technology and Farm Data: A Case Study on Swedish Grain Farmers and On-Combine Near-Infrared Spectroscopy for Quality Measurement” LINK




Chemical Industry NIR Usage

“Benzothiadiazole Bridged EDOT Based Donor-Acceptor Polymers With Tunable Optical, Electrochemical, Morphological and Electrochromic Performance: Effects of …” LINK




Pharma Industry NIR Usage

“Validation and comparison of different near-infrared quantitative methods to rapid determination of the total content of anthraquinones in Rhubarb based on accuracy …” LINK

“Feature Selection and Rapid Characterization of Bloodstains on Different Substrates” LINK




Other

“Application of Optical Technologies in the US Poultry Slaughter Facilities for the Detection of Poultry Carcass Condemnation.” LINK





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.)
Software
included
Chemometric Package not‑needed
€3500 – €6500 per user
Chemometric Predictor
free‑software
€1500 – €2500 per NIR device
Knowledge
included
Chemometric Training not‑needed
€1500 – €2500 per user
Chemometrician* Salary not‑needed
1 years Salary / year
(+ risk of Employee Turnover)
Computation
included
Powerful Computer (many Processors, lot of RAM for big data) not‑needed
€1500 – €4500 per computer
Development and Usage
Development of a Calibration
€128
€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