Spectroscopy and Chemometrics/Machine-Learning News Weekly #14, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 13, 2022 | 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 13, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 13, 2022 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“NIR Spectroscopy and Aquaphotomics Approach to Identify Soil Characteristics as a Function of the Sampling Depth” LINK

“Improving the multi-class classification of Alzheimer’s disease with machine learning-based techniques: An EEG-fNIRS hybridization study” LINK

“A novel methodology for determining effectiveness of preprocessing methods in reducing undesired spectral variability in near infrared spectra” LINK

“NEAR INFRARED SPECTROSCOPY AS IN-LINE PAT TOOL FOR A ROBUST MOISTURE CONTENT DETERMINATION OF SPIN FREEZE-DRIED SAMPLES” LINK

“Near infrared‐based process analytical technology module for estimating gelatinization optimal point” LINK

“Near Infrared Technology in Agricultural Sustainability: Rapid Prediction of Nitrogen Content from Organic Fertilizer” LINK

“Gasoline octane number prediction from near-infrared spectroscopy with an ANN-based model” LINK

“Rapid On-site Identification of Geographical Origin and Storage Age of Tangerine Peel by Near-infrared Spectroscopy” LINK

“Empirical mode decomposition of near-infrared spectroscopy signals for predicting oil content in palm fruits” LINK

“Miniaturization in NIR Spectroscopy Reshapes Chemical Analysis” LINK

“Unscrambling spectral interference and matrix effects in Vitis vinifera Vis-NIR spectroscopy: Towards analytical grade ‘in vivo’sugars and acids quantification” LINK

“Research Progress of Bionic Materials Simulating Vegetation Visible-Near Infrared Reflectance Spectra” LINK

“Latent Variable Machine Learning Methods Applied for NIR Quantitative Analysis of Coffee” LINK

“Identification of informative spectral ranges for predicting major chemical constituents in corn using NIR spectroscopy” LINK

“Vis-NIR Spectroscopy and Machine Learning Methods for the Discrimination of Transgenic Brassica napus L. and Their Hybrids with B. juncea” LINK

“Applied Sciences : Hidden Information in Uniform Design for Visual and Near-Infrared Spectrum and for Inkjet Printing of Clothing on Canvas to Enhance Urban Security” LINK

“LIONirs: flexible Matlab toolbox for fNIRS data analysis” LINK




Raman Spectroscopy

“Raman Spectroscopic Detection and Quantification of Macro- and Microhematuria in Human Urine” LINK




Hyperspectral Imaging (HSI)

“Prediction of total carotenoids, color and moisture content of carrot slices during hot air drying using noninvasive hyperspectral imaging technique” LINK

“Growth simulation of Pseudomonas fluorescens in pork using hyperspectral imaging” LINK

“Estimation of Leaf Water Content of Different Leaves from Different Species Using Hyperspectral Reflectance Data” LINK




Chemometrics and Machine Learning

“Automation : Predictive Performance of Mobile Vis-NIR Spectroscopy for Mapping Key Fertility Attributes in Tropical Soils through Local Models Using PLS and ANN” LINK

“Prediction of South American Leaf Blight and Disease-Induced Photosynthetic Changes in Rubber Tree, Using Machine Learning Techniques on Leaf Hyperspectral …” LINK

“Proximal spectroscopy sensing for sugarcane quality prediction and spatial variability mapping” LINK

“Variable Selection Based on Gray Wolf Optimization Algorithm for the Prediction of Saponin Contents in Xuesaitong Dropping Pills Using NIR Spectroscopy” | LINK

“Prediction of soil organic matter content based on characteristic band selection method” LINK

“Sensors : Algorithm of Stability-Analysis-Based Feature Selection for NIR Calibration Transfer” LINK

“Modelling soil water retention and water‐holding capacity with visible-near infrared spectra and machine learning” LINK

“Machine learning for atherosclerotic tissue component classification in combined near-infrared spectroscopy intravascular ultrasound imaging: Validation against …” LINK

“Modelling soil water retention and waterholding capacity with visiblenear infrared spectra and machine learning” LINK

“Cancers : Novel Non-Invasive Quantification and Imaging of Eumelanin and DHICA Subunit in Skin Lesions by Raman Spectroscopy and MCR Algorithm: Improving Dysplastic Nevi Diagnosis” LINK




Spectroscopy

“Evaluation of portable vibrational spectroscopy for identifying plasticizers in dairy tubing” LINK




Optics for Spectroscopy

“Chemosensors : Carbocyanine-Based Fluorescent and Colorimetric Sensor Array for the Discrimination of Medicinal Compounds” LINK

“Platinum(II)Acetylide Conjugated Polymer Containing AzaBODIPY Moieties for Panchromatic Photodetectors” LINK




Equipment for Spectroscopy

“Polymers : Role of Macrodiols in the Synthesis and Thermo-Mechanical Behavior of Anti-Tack Water Borne Polyurethane Dispersions” LINK




Process Control and NIR Sensors

“A Perfect Pair: Stabilized Black Phosphorous Nanosheets Engineering with Antimicrobial Peptides for Robust Multidrug Resistant Bacteria Eradication” LINK




Environment NIR-Spectroscopy Application

“Long-Term Liming Reduces the Emission and Temperature Sensitivity of N2o Via Altering Denitrification Functional Gene Ratio in Acidic Soil” LINK

“Environmental metabolomics approaches to identify and enhance secondary compounds in medicinal plants for bio-based plant protection” LINK

“Soil moisture determines nitrous oxide emission and uptake” LINK

“Remote Sensing : Evaluating the Capability of Satellite Hyperspectral Imager, the ZY1-02D, for Topsoil Nitrogen Content Estimation and Mapping of Farmlands in Black Soil Area, China” LINK

“Remote Sensing : Extending the GOSAILT Model to Simulate Sparse Woodland Bi-Directional Reflectance with Soil Reflectance Anisotropy Consideration” LINK




Agriculture NIR-Spectroscopy Usage

“Evaluation of Near-Infrared Reflectance and Transflectance Sensing System for Predicting Manure Nutrients” LINK

“Ecoenzymatic stoichiometry reflects the regulation of microbial carbon and nitrogen limitation on soil nitrogen cycling potential in arid agriculture ecosystems” | LINK

“Remote Sensing : Phenotypic Traits Estimation and Preliminary Yield Assessment in Different Phenophases of Wheat Breeding Experiment Based on UAV Multispectral Images” LINK

“Agronomy : Evaluation of Methods for Measuring Fusarium-Damaged Kernels Wheat” LINK

“Agriculture : Non-Destructive Detection of pH Value of Kiwifruit Based on Hyperspectral Fluorescence Imaging Technology” LINK

“Agronomy : Optical Spectrometry to Determine Nutrient Concentrations and other Physicochemical Parameters in Liquid Organic Manures: A Review” LINK

“Agriculture : The Effect of Tytanit on Fibre Fraction Content in Medicago x varia T. Martyn and Trifolium pratense L. Cell Walls” LINK




Horticulture NIR-Spectroscopy Applications

“Redefining the impact of preharvest factors on peach fruit quality development and metabolism: A review” LINK

“Accurate nondestructive prediction of soluble solids content in citrus by nearinfrared diffuse reflectance spectroscopy with characteristic variable selection” LINK




Forestry and Wood Industry NIR Usage

“Spectrometric Prediction of Nitrogen Content in Different Tissues of Slash Pine Trees” LINK




Food & Feed Industry NIR Usage

“Effects of Irrigation Strategy and Plastic Film Mulching on Soil N 2 O Emissions and Fruit Yields of Greenhouse Tomato” LINK

“Mini shortwave Spectroscopic Techniques and Multivariate Statistical Analysis as a Tool for Testing intact Cocoa beans at farmgate for Quality Control in Ghana” LINK

“Foods : Gluten Conformation at Different Temperatures and Additive Treatments” LINK




Pharma Industry NIR Usage

“Revealing the Effect of Heat Treatment on the Spectral Pattern of Unifloral Honeys Using Aquaphotomics” LINK

“Biomedicines : Pathophysiological Response to SARS-CoV-2 Infection Detected by Infrared Spectroscopy Enables Rapid and Robust Saliva Screening for COVID-19” LINK




Other

“Unraveling the potential of phenomic selection within and among diverse breeding material of maize (Zea mays L.)” LINK

“Applied Sciences : Impact of Pheidole fallax (Hymenoptera: Formicidae) as an Ecosystem Engineer in Rehabilitated Coal Mine Areas” LINK

“The Spectral Mixture Residual: A Source of LowVariance Information to Enhance the Explainability and Accuracy of Surface Biology and Geology Retrievals” LINK

“Glycosylated MoS2 Sheets for Capturing and Deactivating E. coli Bacteria: Combined Effects of Multivalent Binding and Sheet Size” LINK




Spectroscopy and Chemometrics/Machine-Learning News Weekly #1, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 52, 2021 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK




Near-Infrared Spectroscopy (NIRS)

“Wide band UV/Vis/NIR blazed-binary reflective gratings: two lithographic techniques investigation” LINK

“Scanning interferometric near-infrared spectroscopy for imaging of adult human forehead blood flow dynamics” LINK

“Near-infrared spectroscopy in process control and quality management of fruits and wine” LINK

“Potential of Vis-NIR to measure heavy metals in different varieties of organic-fertilizers using Boruta and deep belief network” LINK

“Quantification of Carbon Dioxide (CO2), Methane (CH4), and Nitrous Oxide (N2O) Using Near Infrared Spectroscopy and Multivariate Calibration in High …” LINK

“Development of NIRS re-calibration model for ethiopian barley (Hordeum vulgare) lines traits to determine their brewing potential” LINK

“Near-infrared spectroscopy of blood plasma with chemometrics towards HIV discrimination during pregnancy” LINK




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

“Nondestructive evaluation of the biogenic amine in crayfish (Prokaryophyllus clarkii) by nearinfrared spectroscopy” LINK




Raman Spectroscopy

“Quantitative age grading of mosquitoes using surfaceenhanced Raman spectroscopy” LINK




Hyperspectral Imaging (HSI)

“Moisture transport dynamics in wood during drying studied by long-wave near-infrared hyperspectral imaging” | LINK

“In-line monitoring of the residual moisture in impregnated black textile fabrics by hyperspectral imaging” LINK

“Hyperspectral imaging approach for the identification of construction and demolition waste from earthquake sites” LINK




Chemometrics and Machine Learning

“Class-modelling of overlapping classes. A two-step authentication approach” LINK

“Machine learning and chemometrics for electrochemical sensors: moving forward to the future of analytical chemistry” LINK




Research on Spectroscopy

“Synthesis of the Zn1. 9Cu0. 1SiO4 pigment via the sol-gel and coprecipitation methods” | LINK

“Portable vibrational spectroscopic methods can discriminate between grass-fed and grain-fed beef” LINK

“Polydimethylsiloxane tissue-mimicking phantoms with tunable optical properties” LINK

“Biocompatible POSS-gold nanocomposites synthesized by laser ablation in ethanol” LINK




Equipment for Spectroscopy

“Ultra-broadband, high-resolution microdroplet spectrometers for the Near Infrared” LINK

“Non-destructive determination of color, titratable acidity, and dry matter in intact tomatoes using a portable Vis-NIR spectrometer” LINK

“Diffuse Reflectance Illumination Module Improvements in Near-Infrared Spectrometer for Heterogeneous Sample Analysis” LINK




Agriculture NIR-Spectroscopy Usage

“Detection of soybean oil adulteration in cow ghee (clarified milk fat): An ultrafast study using flash gas chromatography electronic nose coupled with multivariate chemometrics” LINK

“Non-lipid-rich low attenuation plaque with intraplaque haemorrhage assessed by multimodality imaging: a case report” LINK




Horticulture NIR-Spectroscopy Applications

“Hyperspectral imaging and machine learning for the prediction of SSC in kiwi fruits” LINK




Food & Feed Industry NIR Usage

“Animals : Measurements of Chemical Compositions in Corn Stover and Wheat Straw by Near-Infrared Reflectance Spectroscopy” LINK

“Contrasting effects of biochar-and organic fertilizer-amendment on community compositions of nitrifiers and denitrifiers in a wheat-maize rotation system” LINK




Other

“Single Crystals Heterogeneity Impacts the Intrinsic and Extrinsic Properties of MetalOrganic Frameworks” LINK

“基于高光谱数据研究应用近红外相机加装滤光片实现玉米叶片水分测量的关键参数” LINK

“Geochemical analysis and spectral characteristics of oil shale deposits in Wadi Abu Ziad, Western Irbid, Jordan” | LINK

” 可见光-近红外, 中红外光谱的土壤有机质组分反演” LINK

“Measurement of Somatic Cell Count in the 700-1,100 nm Short Wavelength Region: Comparison of At-Line and On-Line Measurement Modes” |(91)78179-4 LINK



Spectroscopy and Chemometrics/Machine-Learning News Weekly #48, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 47, 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 47, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 47, 2021 | 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 Spectroscopy and Chemometrics News Weekly in real time on Twitter @ CalibModel and follow us.




Near-Infrared Spectroscopy (NIRS)

“Integrative Computational Analysis of Muscle Near-Infrared Spectroscopy Signals: Effects of Oxygen Delivery and Blood Volume” LINK

“Near Infrared Spectroscopic Evaluation of Starch Properties of Diverse Sorghum Populations” LINK

“Non-Destructive Prediction of Paddy Seed Quality using Near Infrared Spectroscopy” LINK

“Orthogonal Signal Correction of Near-Infrared Spectra for the Prediction of Glucose in Human Tissue” LINK

“Joint calibration of soil Vis-NIR spectra across instruments, soil types & properties by attention-based spectra encoding-spectra/property decoding architecture” LINK

“Determining the Influence of Sample Preparation and Feed Form on the Predictability of the Near Infrared Reflectance Spectroscopy Technique” LINK

“Non-invasive Blood Glucose Detection Sensor System Based on Near-Infrared Spectroscopy” LINK

“Minerals : Salinity Monitoring at Saline Sites with VisibleNear-Infrared Spectral Data” LINK

“平均分布差异最小化的 NIR 标定迁移方法研究” LINK

“Effectiveness of visible – Near infrared spectroscopy coupled with simulated annealing partial least squares analysis to predict immunoglobulins G, A, and M concentration in bovine colostrum” LINK

“PSV-15 Using near infrared reflectance spectroscopy to predict lab scoured yield in Rambouillet sheep” | LINK

“Effective prediction of soil organic matter by deep SVD concatenation using FT-NIR spectroscopy” LINK

“Study on the identification of resistance of rice blast based on near infrared spectroscopy” LINK

“Predicting Organic Matter Content, Total Nitrogen and pH Value of Lime Concretion Black Soil Based on Visible and Near Infrared Spectroscopy” |(2011)43 LINK

“Application of near-infrared spectroscopy in detection of steroids adulteration in traditional Thai medicines” LINK

“Development of a new NIR-machine learning approach for simultaneous detection of diesel various properties” LINK




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

“Near infrared for white wine analysis” LINK

“Microscale Infrared Technologies for Spectral Filtering and Wireless Neural Dust” LINK

“Performance of fieldscale lab vs in situ visible/near and midinfrared spectroscopy for estimation of soil properties” LINK




Raman Spectroscopy

“Detection of SubTerahertz Raman Response and Nonlinear Optical Effects for Luminescent Yb(III) Complexes” LINK




Hyperspectral Imaging (HSI)

“Vis-NIR Hyperspectral Imaging for Online Quality Evaluation during Food Processing: A Case Study of Hot Air Drying of Purple-Speckled Cocoyam (Colocasia …” LINK

” New Approach to the Old Challenge of Free Flap Monitoring—Hyperspectral Imaging Outperforms Clinical Assessment by Earlier Detection of Perfusion Failure” LINK

“Remote Sensing : UAV-Borne Hyperspectral Imaging Remote Sensing System Based on Acousto-Optic Tunable Filter for Water Quality Monitoring” LINK

“4D line-scan hyperspectral imaging” | LINK

“Near-infrared hyperspectral imaging for polymer particle size estimation” LINK

“Foreign Object Detection from Fresh-Cut Vegetables Using Near Infrared Hyperspectral Imaging Techniques” LINK




Chemometrics and Machine Learning

“Neural-network-powered pulse reconstruction from one-dimensional interferometric cross-correlation traces. (arXiv:2111.01014v1 [physics.optics])” LINK

“Spectral reconstruction with model-based neural network for liquid crystal modulator devices” LINK

“Supporting soil and land assessment with machine learning models using the Vis-NIR spectral response” LINK

“Applications of NIR spectroscopy and chemometrics to illicit drug analysis: An example from inhalant drug screening tests” LINK




Optics for Spectroscopy

“Polymers : Composite Materials from Renewable Resources as Sustainable Corrosion Protection Coatings” LINK

“Improvement of the Physical Properties of Electro-spun Polyacrylonitrile Nano-fibers Using the Fe2O3 Nanoparticles for Wastewater Treatment” LINK

“Nanomaterials : Facile and Sensitive Detection of Nitrogen-Containing Organic Bases with Near Infrared C-Dots Derived Assays” LINK




Facts

“On the possible benefits of deep learning for spectral preprocessing” LINK




Research on Spectroscopy

“Data : A Principal Components Analysis-Based Method for the Detection of Cannabis Plants Using Representation Data by Remote Sensing” LINK

“Foods : Inner Properties Estimation of Gala Apple Using Spectral Data and Two Statistical and Artificial Intelligence Based Methods” LINK

“Effects on volatile oil and volatile compounds of Amomum tsao-ko with different pre-drying and drying methods” LINK

“Investigation of innovative analytical techniques and methodological approaches for the analysis of phyto-cannabinoids in cannabis samples” LINK

“A Novel Compression Method of Spectral Data Matrix Based on the Low-Rank Approximation and the Fast Fourier Transform of the Singular Vectors” LINK




Equipment for Spectroscopy

“Feasibility of portable NIR spectrometer for quality assurance in glue-laminated timber production” LINK




Process Control and NIR Sensors

“Applications for remote sensing by unmanned aerial vehicles in reclamation monitoring” LINK

“282 Nutritional Monitoring of Prenatally Stressed and Translocated Brahman Heifers” LINK




Environment NIR-Spectroscopy Application

“Importance of the legacy effect for assessing spatiotemporal correspondence between interannual tree-ring width and remote sensing products in the Sierra …” LINK

“Retrieving zinc concentrations in topsoil with reflectance spectroscopy at Opencast Coal Mine sites” | LINK




Agriculture NIR-Spectroscopy Usage

“Sustainability : Estimation of Heavy Metal(Loid) Contents in Agricultural Soil of the Suzi River Basin Using Optimal Spectral Indices” LINK

“Forage Grasses Steer Soil Nitrogen Processes, Microbial Populations, and Microbiome Composition in A Long-term Tropical Agriculture System” LINK

“Symmetric and asymmetric overgrowth of a Ag shell onto gold nanorods assisted by Pt pre-deposition” | LINK

“Agronomy : Applicability of Near Infrared Reflectance Spectroscopy to Predict Amylose Contents of Single-Grain Maize” LINK

“Nondestructive Detection of Weight Loss Rate, Surface Color, Vitamin C Content, and Firmness in Mini-Chinese Cabbage with Nanopackaging by Fourier Transform …” LINK

“Task Complexity and Image Clarity Facilitate Motor and Visuo-Motor Activities in Mirror Therapy in Post-stroke Patients” | LINK

“Near infrared spectrometry to evaluate the feed value of forages” LINK

“Nondestructive Prediction of Anthocyanin Content of Pigmented Soybean Seeds using Hyperspectral Near-infrared imaging” LINK

“Intravascular imaging beyond ischaemia assessment: a possible way for improving risk stratification” | LINK




Horticulture NIR-Spectroscopy Applications

“Extending the use of fiber optic equipped visible/near infrared reflectance spectrometer to measure peel color of various fruits and vegetables” LINK

“High-Throughput Plant Phenotyping for the Chilling Stress of Watermelon Plants” LINK




Food & Feed Industry NIR Usage

“Quantitative detection of benzoyl peroxide in wheat flour using line-scan short-wave infrared hyperspectral imaging” LINK

“Spectroscopy of Phenolic Antioxidants” | LINK




Pharma Industry NIR Usage

“Beyond the Patient’s Report: Self-Reported, Subjective, Objective and Estimated Walking Disability in Patients with Peripheral Artery Disease” LINK

“Greater plaque burden and cholesterol content may explain an increased incidence of non-culprit events in diabetic patients: a Lipid-Rich Plaque substudy” LINK

“Spatial covariation between solar-induced fluorescence and vegetation indices from Arctic-Boreal landscapes” LINK

“Spectroscopic characteristics of Xeloda chemodrug” LINK




Laboratory and NIR-Spectroscopy

“Particle-specific characterisation of non-hazardous, coarse-shredded mixed waste for real-time quality assurance” LINK




Other

“Facile fabrication of PS-CHO core-shell composite microspheres via in-situ chemical deposition and their photocatalytic application on oxidative degradation …” LINK

“A trace CH<sub>4</sub> detection system based on DAS calibrated WMS technique” LINK

“Denitrification and dissimilatory nitrate reduction to ammonia in long-term lake sediment microcosms with iron (II)” LINK

“近红外光谱的通用聚苯乙烯牌号在线识别方法” LINK

“非均匀固体籽粒近红外光谱采集方法研究” LINK

“基于卷积神经网络和近红外光谱的太平猴魁茶产地鉴别分析” LINK

“鸡腿肌冻干粉蛋氨酸近红外光谱定量预测模型的建立与优化” LINK

“Anthocyanins – Definition, Benefits, Sources” LINK

“Varijabilnost parametara kvalitete zrna hrvatskih i stranih genotipova soje (Glycine max L.)” LINK

“Cultivation and Performance Analysis of Simultaneous Partial Nitrification, ANAMMOX, and Denitratation Granular Sludge” LINK

“CHEMICAL CHARACTERIZATION OF BARK COMPOUNDS FROM CAATINGA SPECIES” 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 #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 #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



Spectroscopy and Chemometrics News Weekly #19, 2020

NIR Calibration-Model Services

“Simultaneously multi quantitative value determination from a bunch of NIR spectra by drag and drop of multiple spectral files.” | NIRS Spectroscopy – Image is Preview of V2.6 LINK

Calibration Model’s free NIR-Predictor V2.5 Software Update is available today | Download here | NIRS NIR Spectroscopy Sensor Application Chemometric Prediction Report QualityControl Lab Laboratory Analysis Production LINK

Spectroscopy and Chemometrics News Weekly 18, 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 18, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 18, 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)

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

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

“Determination of nutritional parameters of bee pollen by Raman and infrared spectroscopy.” LINK

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

“Scientists demonstrate the ability of infrared ion spectroscopy to identify and distinguish the molecular structure of three isomers of fluoroamphetamine and two ring-isomers of both MDA and MDMA.” LINK

“Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds” LINK

“Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum).” phenotyping LINK

“Investigating the Quality of Antimalarial Generic Medicines Using Portable 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

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

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

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

“Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression” LINK

“ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor” 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




Raman Spectroscopy

“Quantitative models for detecting the presence of lead in turmeric using Raman spectroscopy” LINK

“Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition” LINK




Hyperspectral Imaging (HSI)

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging.” LINK

“Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images” LINK

“Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves” LINK

“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

“Incorporation of two-dimensional correlation analysis into discriminant analysis as a potential tool for improving discrimination accuracy: Near-infrared spectroscopic discrimination of adulterated olive oils.” LINK

“Building kinetic models for apple crispness to determine the optimal freshness preservation time during shelf life based on spectroscopy” LINK

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

“Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands” 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

“Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts” 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

“Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms” LINK

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

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




Horticulture NIR-Spectroscopy Applications

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




Food & Feed Industry NIR Usage

“Quantification of Ash and Moisture in Wheat Flour by Raman Spectroscopy” 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





.

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