Spectroscopy and Chemometrics News Weekly #11, 2021

NIR Calibration-Model Services

Custom NIR Equations for better accuracy and precision for QA QC Testing Analysis Lab PAT NIRS NIR ag food LINK

Improve Accuracy of fast Nondestructive NIR Measurements by Optimal Calibration | foodquality agtech Lab biotech LINK

Spectroscopy and Chemometrics News Weekly 10, 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 10, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 10, 2021 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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Near-Infrared Spectroscopy (NIRS)

“Fast and contactless assessment of intact mango fruit quality attributes using near infrared spectroscopy (NIRS)” LINK


” Mango internal defect detection based on optimal wavelength selection method using NIR spectroscopy” LINK

“Application of Fourier Transform Near-Infrared (FT-NIR) spectroscopy for detection of adulteration in palm sugar” LINK

“Quick assessment of chicken spoilage based on hyperspectral NIR spectra combined with partial least squares regression” LINK

“PENDUGAAN KANDUNGAN GIZI AMPAS TEBU (Bagasse) MENGGUNAKAN NIRS (Near Infrared Reflectance Spectroscopy)” LINK

“… condition of leaves during black tea processing via the fusion of electronic eye (E-eye), colorimetric sensing array (CSA), and micro-near-infrared spectroscopy (NIRS)” LINK

” NIR spectroscopy of natural medicines supported by novel instrumentation and methods for data analysis and interpretation” LINK

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

“A method using near infrared hyperspectral imaging to highlight the internal quality of apple fruit slices” LINK

“Use of near-infrared spectroscopy on predicting wastewater constituents to facilitate the operation of a membrane bioreactor” LINK

“Textile Recognition and Sorting for Recycling at an Automated Line Using Near Infrared Spectroscopy” LINK

“Identification of tomatoes with early decay using visible and near infrared hyperspectral imaging and imagespectrum merging technique” LINK

“Mineral equilibrium in commercial curd and predictive ability of near-infrared spectroscopy” LINK

“Organic fertilizer from agricultural waste: determination of phosphorus content using near infrared reflectance” LINK

“Robust fraudulence detection of patchouli oil plant using near infrared spectroscopy” LINK

“Rapid quantification of epigoitrin in the extraction process of Radix Isatidis using near infrared spectroscopy” LINK

Hyperspectral Imaging (HSI)

“Nondestructive detection for egg freshness based on hyperspectral imaging technology combined with harris hawks optimization support vector regression” LINK

Chemometrics and Machine Learning

“Rapid screening of apple juice quality using ultraviolet, visible, and near infrared spectroscopy and chemometrics: A comparative study” LINK

“Portable Spectroscopy Calibration with Inexpensive and Simple Sampling Reference Alternatives for Dry Matter and Total Carotenoid Contents in Cassava Roots” LINK

“Gravity mass powder flow through conical hoppers–Part I: A mathematical model predicting the radial velocity profiles of free‐flowing granular systems as a function of …” LINK

“Simultaneous sex and species classification of silkworm pupae by” LINK

“Application of near infrared spectroscopy in chemometric modeling of tannin content and stiasny number of Pinus caribaea bark” LINK

“Monitoring UV-accelerated alteration processes of paintings by means of hyperspectral micro-FTIR imaging and chemometrics” LINK

Equipment for Spectroscopy

“Principle and optimum analysis of small near-infrared spectrometers based on digital micromirror device” LINK

We are excited to announce the release of the VIS-NIR version of our ultra compact PEBBLE spectrometer platform. The PEBBLE VIS-NIR is ideal for fluorescence and absorption spectroscopy. Read about our ultra compact PEBBLE VIS-NIR spectrometer here: LINK

Environment NIR-Spectroscopy Application

“Transfer learning strategy for plastic pollution detection in soil: Calibration transfer from high-throughput HSI system to NIR sensor” LINK

“UAS-Based Hyperspectral Environmental Monitoring of Acid Mine Drainage Affected Waters” Minerals LINK

Agriculture NIR-Spectroscopy Usage

” Comparison of UAV RGB imagery and hyperspectral remote-sensing data for monitoring winter-wheat growth” LINK

” Soil nutrient information extraction model based on transfer learning and near infrared spectroscopy” LINK

“Machine Learning-Based Prediction of Selected Parameters of Commercial Biomass Pellets Using Line Scan Near Infrared- Hyperspectral Image” LINK

Horticulture NIR-Spectroscopy Applications

” Nondestructive Assessment of Citrus Fruit Quality and Ripening by Visible–Near Infrared Reflectance Spectroscopy” LINK

Food & Feed Industry NIR Usage

“An Alternative Approach to Evaluate the Quality of Protein-Based Raw Materials for Dry Pet Food” LINK

“Predictive Ability of Four Small‐Scale Quality Tests for Dough Rheological Properties and Baking Quality in Hard Red Spring Wheat” LINK


“Sequential Data Fusion Techniques for the Authentication of the P.G.I. Senise (Crusco) Bell Pepper” 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

Spectroscopy and Chemometrics News Weekly #41, 2020

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 40, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality LINK

NIR-Spectroscopy and Chemometrics News Weekly 40, 2020 Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 40, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 40, 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)

“Comparison of four mobile, non‐invasive diagnostic techniques for differentiating glass types in historical leaded windows: MA‐XRF, UV–Vis–NIR, Raman …” LINK

“NIR associated to PLS and SVM for fast and non-destructive determination of C, N, P, and K contents in poultry litter” LINK

“Feasibility of FT-NIR spectroscopy and Vis/NIR hyperspectral imaging for sorting unsound chestnuts” LINK

“Estimating purple-soil moisture content using Vis-NIR spectroscopy” | LINK

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

“Classification approaches for sorting maize (Zea mays subsp. mays) haploids using single‐kernel near‐infrared spectroscopy” LINK

“Near Infrared and Aquaphotomic analysis of water absorption in lactate containing media” LINK

“Classification of Imbalanced Near-infrared Spectroscopy Data” LINK

“Meat freshness revealed by visible to near-infrared spectroscopy and principal component analysis” LINK

“Measurement of the diffusion coefficient and hydrogen bonds of water in a dry-protective solution by microscopic near-infrared spectroscopy” LINK

“Authentication of Antibiotics Using Portable Near-Infrared Spectroscopy and Multivariate Data Analysis” LINK

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

“Assessment of some wood properties by near infrared spectroscopy” LINK

“Impact of spectroscopic information on total column water vapor retrieval in the near-infrared spectral region” LINK

“Prediction of intramuscular fat in lamb by visible and near-infrared spectroscopy in an abattoir environment” LINK

Raman Spectroscopy

“Principal Component Regression for Forensic Age Determination Using the Raman Spectra of Teeth” LINK

Hyperspectral Imaging (HSI)

“Rapid and nondestructive evaluation of hygroscopic behavior changes of thermally modified softwood and hardwood samples using near-infrared hyperspectral imaging (NIR-HSI)” LINK

“Differentiation of Environmental Bacteria Using Hyperspectral Imaging Technology And Multivariate Analysis” LINK

Chemometrics and Machine Learning

“Comprehensive chemometric classification of snack products based on their near infrared spectra” LINK

“Adulteration detection of corn oil, rapeseed oil and sunflower oil in camellia oil by in situ diffuse reflectance near-infrared spectroscopy and chemometrics” LINK

“Near-Infrared Spectroscopy Coupled Chemometric Algorithms for Rapid Origin Identification and Lipid Content Detection of Pinus Koraiensis Seeds” Sensors LINK

“Application of Generative Adversarial Network for the Prediction of Gasoline Properties” LINK

“Near Infrared Reflectance Spectroscopy Coupled to Chemometrics as a Cost-Effective, Rapid and Non-Destructive Tool for Fish Fraud Control: Monitoring Source …” LINK

“Using chemometrics to characterise and unravel the near infra-red spectral changes induced in aubergine fruit by chilling injury as influenced by storage time and …” LINK

Equipment for Spectroscopy

“Water as a probe to understand the traditional Chinese medicine extraction process with near infrared spectroscopy: a case of Danshen (Salvia miltiorrhiza Bge) …” LINK

Process Control and NIR Sensors

“Sample Mass Estimate for the Use of Near-Infrared and Raman Spectroscopy to Monitor Content Uniformity in a Tablet Press Feed Frame of a Drug Product Continuous Manufacturing Process” LINK

Environment NIR-Spectroscopy Application


“Metabolomics approaches for analysing effects of geographic and environmental factors on the variation of root essential oils of Ferula assa-foetida L.” LINK

Agriculture NIR-Spectroscopy Usage

“Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review.” LINK

Food & Feed Industry NIR Usage

“Multi-block classification of chocolate and cocoa samples into sensory poles” LINK

Pharma Industry NIR Usage

“Rapid quantification of active pharmaceutical ingredient for sugar-free Yangwei granules in commercial production using FT-NIR spectroscopy based on machine …” LINK

Laboratory and NIR-Spectroscopy

“Resin and volatile content of melamine-impregnated paper assessed by near infrared spectroscopy, a simulation of the industrial process using a laboratory-scale …” | LINK


“Development of an automatic sorting robot for construction and demolition waste” LINK


“Polymer types ingested by northern fulmars (Fulmarus glacialis) and southern hemisphere relatives.” LINK

“High-sensitive spectroscopy for remote sensing of concrete structures” LINK

Professional NIR-Spectroscopy Chemometric Data Science as a Service

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

  • With CalibrationModel.com service, NIR-models can be developed without Chemometric Software.

  • It works for nearly all desktop and mobile NIR Spectrometers.

  • The included free NIR-Predictor software allows to create instantly analysis result reports with multiple NIR-models at once without an internet connection.

  • By sending the NIR and Lab data, quantitative models are developed and optimized to be downloaded in licensed or perpetual-unlimited versions.

  • The complete calibration settings that includes the intellectual property is also available.

  • The Trial Calibration is an individually tailored ready-to-use NIR calibration file that matches your data and product with 7 days evaluation possibility (try before you buy).

    Start Trial Calibration

    NIR Calibration Model Service explained

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

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

    CalibrationModel.com (CM) versus Others

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

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

    See also: pricing

    Start Calibrate

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

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

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

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

    For all NIR Spectrometers.

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

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

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

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

    You don’t need a Chemometric Software.

    NIR Calibration Service explained

    See detailed Price List

    Start Calibrate


    It Enables





    Our Knowhow

    Why you can Trust us

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

    We make NIR Chemometrics easy

    Hi, we’re CalibrationModel. Our aim is to transform your NIR data to superior calibration models. We do this by using knowledge driven software applying good practices and rules from literature, publications, regulatory guidelines and more. Our service is used by NIR specialists to deliver a valuable model for their NIR analysis measurements. With CalibrationModel services, NIR specialists can find out how their NIR Data can be robust and optimally modeled by which data preprocessing and wavelength selection, etc. You can implement CalibrationModel in a matter of minutes using our contact form and send your NIR data to receive optimized model settings as a blueprint.

    NIR specialists (Spectroscopist, Chemometricians) love perfect models. They’re curious about how to improve their models even further, because all NIR models need continuous maintenance and updates.

    Using CalibrationModel services, NIR Specialists can deliver real value to their measurement results through powerful model optimization capabilities.

    We make NIR Chemometrics easy.

    Near-Infrared Data Modeling Calibration Service