Spectroscopy and Chemometrics/Machine-Learning News Weekly #9, 2022

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 8, 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 8, 2022 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 8, 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)

“Research of Parameter Optimization of Preprocessing and Feature Extraction for NIRS Qualitative Analysis Based on PSO Method” LINK

“Fusion of a low-cost electronic nose and Fourier transform near-infrared spectroscopy for qualitative and quantitative detection of beef adulterated with duck.” LINK

“Assessment oil composition and species discrimination of Brassicas seeds based on hyperspectral imaging and portable near infrared (NIR) spectroscopy tools and …” LINK

“Prediksi Kualitas Buah Jambu Biji “Kristal” Secara NonDestruktif Menggunakan Portable Near Infrared Spectrometer (Nirs)” LINK

“Quantitative Analysis of Blend Uniformity within a Three-Chamber Feed Frame using Simultaneously Raman and Near-Infrared Spectroscopy” LINK

“Rapid Identification of Peucedanum Praeruptorum Dunn and its Adulterants by Hand-Held near-Infrared Spectroscopy” | LINK

“Methods of Detecting Multiple Chemical Substances Based on Near-Infrared Colloidal Quantum Dot Array and Spectral Reconstruction Algorithm” LINK

“Near-Infrared Spectroscopy Detection of Cotton/Polyester Content Based on Dropout Deep Belief Network” LINK

“Determining Pasture Biodiversity with NIRS” LINK

“Non-destructive prediction of the hotness of fresh pepper with a single scan using portable near infrared spectroscopy and a variable selection strategy.” LINK

“NIR Calibration Transfer Method Based on Minimizing Mean Distribution Discrepancy” LINK

“Near infrared spectroscopy reveals instability in retinal mitochondrial metabolism and haemodynamics with blue light exposure at environmental levels” LINK

“Study on Characteristic Wavelength Extraction Method for Near Infrared Spectroscopy Identification Based on Genetic Algorithm” LINK

“Discrimination of Transgenic Canola (Brassica napus L.) and their Hybrids with B. rapa using Vis-NIR Spectroscopy and Machine Learning Methods” LINK

“Recent Advances in Application of Near-Infrared Spectroscopy for Quality Detections of Grapes and Grape Products” LINK

“Detection of calcium chloride salts in rubber cublum using Near-Infrared Spectroscopy Technique” LINK

“PLS-DA and Vis-NIR spectroscopy based discrimination of abdominal tissues of female rabbits” LINK

“Sparse Reconstruction using Block Sparse Bayesian Learning with Fast Marginalized Likelihood Maximization for Near-Infrared Spectroscopy” LINK

“Study on Online Detection Method of “Yali” Pear Black Heart Disease Based on Vis-Near Infrared Spectroscopy and AdaBoost Integrated Model” LINK

“Detection of Umami Substances and Umami Intensity Based on Near-Infrared Spectroscopy” LINK

“Farklı ana materyal üzerinde oluşmuş toprakların adli bilim için VNIRS tekniği ile spektral karakterizasyonu ve özelliklerinin tahmin edilmesi” LINK

“Prediction of soil hydraulic properties using VIS-NIR spectral data in semi-arid region of Northern Karnataka Plateau” LINK

“Rapid Assessment of Fresh Beef Spoilage Using Portable Near-Infrared Spectroscopy” LINK

“The Relationship Between Genetic Variations and NIRs Differences of Eucalyptus Pellita Provenances” LINK

“Geographical Origin Discrimination of Taiping Houkui Tea Using Convolutional Neural Network and Near-Infrared Spectroscopy” LINK

“Assessment of soil quality using VIS-NIR spectra in invaded coastal wetlands” | LINK

“Relationship Between Visible/Near Infrared Spectral Data and Fertilization Information at Different Positions of Hatching Eggs” LINK

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

“Near Infrared Spectral Wavelength Selection Based on Improved Team Progress Algorithm” LINK

“Coupling ATR-FTIR Spectroscopy and Chemometric Analysis for Rapid and Non-Destructive Ink Discrimination of Forensic Documents” LINK

“Model-based mid-infrared spectroscopy for on-line monitoring of volatile fatty acids in the anaerobic digester” LINK

“Depthdependent hydration dynamics in human skin: Vehiclecontrolled efficacy assessment of a functional 10% urea plus NMF moisturizer by nearinfrared confocal spectroscopic imaging (KOSIM IR) and capacitance method complemented by volunteer perception” LINK

“Detection of Umami Substances and Umami Intensity Based on Near-Infrared Spectroscopy” LINK

“Early Detection of Cauliflower Gray Mold Based on Near-Infrared Spectrum Feature Extraction” LINK

Hyperspectral Imaging (HSI)

“Hyperspectral imaging for non-destructive detection of honey adulteration” LINK

“Study on the Spectral Characteristics of Ground Objects in Land-Based Hyperspectral Imaging” LINK

“Combine Hyperspectral Imaging and Machine Learning to Identify the Age of Cotton Seeds” LINK

“Nondestructive detection of total soluble solids in grapes using VMD‐RC and hyperspectral imaging” LINK

“Nondestructive Detection of Codling Moth Infestation in Apples Using Pixel-Based NIR Hyperspectral Imaging with Machine Learning and Feature Selection” LINK

“Research on Rich Borer Detection Methods Based on Hyperspectral Imaging Technology” LINK

Chemometrics and Machine Learning

“A Data Fusion Model to Merge the Spectra Data of Intact and Powdered Cayenne Pepper for the Fast Inspection of Antioxidant Properties” LINK

“Rapid Determination of β-Glucan Content of Hulled and Naked Oats Using near Infrared Spectroscopy Combined with Chemometrics” LINK

“Prediction Model of TVB-N Concentration in Mutton Based on Near Infrared Characteristic Spectra” LINK

“Optimization of Fruit Pose and Modeling Method for Online Spectral Detection of Apple Moldy Core” LINK

Research on Spectroscopy

“Local Preserving Projection Similarity Measure Method Based on Kernel Mapping and Rank-Order Distance” LINK

“A Method for Detecting Sucrose in Living Sugarcane With Visible-NIR Transmittance Spectroscopy” LINK

Process Control and NIR Sensors

“Cognitive and linguistic dysfunction after thalamic stroke and recovery process: possible mechanism” LINK

Environment NIR-Spectroscopy Application

“Empower Innovations in Routine Soil Testing” LINK

Agriculture NIR-Spectroscopy Usage

“Preharvest phenotypic prediction of grain quality and yield of durum wheat using multispectral imaging” LINK

“Cove-Edged Graphene Nanoribbons with Incorporation of Periodic Zigzag-Edge Segments” LINK

“Utilizing near infra-red spectroscopy to identify physiologic variations during digital retinal imaging in preterm infants” | LINK

Forestry and Wood Industry NIR Usage

“Spectrometric prediction of nitrogen content in different tissue types of trees 2” LINK

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

Food & Feed Industry NIR Usage

“Optical techniques in non-destructive detection of wheat quality: A review” LINK

Chemical Industry NIR Usage

“Quantifying Polaron Mole Fractions and Interpreting Spectral Changes in Molecularly Doped Conjugated Polymers” LINK

Pharma Industry NIR Usage

“Quantitative Changes in Muscular and Capillary Oxygen Desaturation Measured by Optical Sensors during Continuous Positive Airway Pressure Titration for …” LINK

Medicinal Spectroscopy


Laboratory and NIR-Spectroscopy

“Available on line at Directory of Open Access Journals” LINK


“A Spectroscopic Study of Dysprosium-Doped TlPb2Br5 for Development of Novel Mid-IR Gain Media” LINK

“No differences in splenic emptying during on-transient supine cycling between aerobically trained and untrained participants” | LINK

“Influence of Substrate Temperature on Structural and Optical Properties of Co-Evaporated Cu2SnS3/ITO Thin Films” LINK

“Synthesis and characterization of new multinary selenides Sn4In5Sb9Se25 and Sn6. 13Pb1. 87In5. 00Sb10. 12Bi2. 88Se35” LINK


How to start building a NIR Calibration (a NIR prediction model)?

With at least 60-100 different NIR measured samples with different Lab values
we can develop a quantitative NIR Calibration for you!

You don’t need to operate with expensive Chemometric Software.
Don’t worry, prices are inexpensive for that and all software you need is included.
Price comparison

The free NIR-Predictor software allows to combine your measured NIR-Spectra with the Lab values of the samples. And checks your data and creates a Calibration Request file for you. NIR-Predictor Info

With that you can order your individual customized calibration, by sending the Calibration Request file to info@CalibrationModel.com.

After processing you will get an Email with a link to access your customize calibrations in our WebShop where you can purchase and download the calibration file immediately
for use in the included free NIR-Predictor software to get results predicted out of spectra files. NIR-Predictor software

For your Calibration start-up cycle we provide low-price short living calibrations, that work for e.g. 3 or 6 months. Pricing

During that Calibration usage time you have measured more samples and collected more NIR and Lab data to build a bigger and better calibration.
E.g. you got samples that extend the range of the constituents.
Or you have collected the Lab values of additional constituents.

Yes out of an measured NIR-Spectrum you can get multiple constituents predicted at the same time (a quantitative calibration per constituent is needed).

And NIR-Predictor does handle this with ease and creates NIR Prediction Reports (printable, archive-able) of all the calibrations you have in folder named with e.g. “MyFruitApplication”.

And having multiple such applications, in NIR-Predictor you can easily switch between the applications for analyzing new NIR spectra files.

The NIR spectra files are found from the stored or exported folder from your NIR-Spectrometer software. supported File Formats

NIR Calibration Service explained

Start Calibrate

NIR-Predictor Download

The free NIR-Predictor software
  • comes with demo data, so you can predict sample spectra with demo calibrations.
  • has no functional limitations, no nagging, no ads and needs no license-key.
  • you need no account and no registration to download and use.
  • runs on Microsoft Windows 10/8/7 (Starter, Basic, Professional) (32 bit / 64 bit).
  • no data is ever transmitted from your local machine. We don’t even collect usage data.
See more Videos

Beside the free NIR-Predictor software with Windows user interface,
the real-time Predictor Engine is also available
  • for embedded integration in application, cloud and instrument-software (ICT).
  • As a light-weigt single library file (DLL)
    with application programming interface (API),
    documentation and software development kit (SDK)
    including sample source code (C#).
  • Easy integration and deployment,
    no software license protection (no serial key, no dongle).
  • Put your spectrum as an array into the multivariate predictor,
    no specific file format needed.
  • Fast prediction speed and low latency
    because of compiled code library (direct call, no cloud API).
  • Protected prediction results with outlier detection information.
See NIR Method Development Service for Labs and NIR-Vendors (OEM, White-Label)

Software Size Date Comment
NIR-Predictor V2.6.0.2 (download)

What’s new, see Release Notes

By downloading and/or using the software
you accept the Software License Agreement (EULA)
3.7 MB 18.08.2021 public release

Minimal System Requirements
Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account

There are no administrator rights required, unpack the zip file to a folder “NIR-Predictor” in your documents or on your desktop.
Read the ReadMe.txt and double click the NIR-Predictor.exe file.

If you have installed an older version of NIR-Predictor then unpack into a different folder named e.g. “NIR-PredictorVx.y”. All versions can run side-by-side. Copy the Calibrations in use to the new version into the “Calibration” folder. That’s all.

Make sure to backup your reports and calibrations inside your “NIR-Predictor” folder. Delete the “NIR-Predictor” folder.

Start Calibrate

See also: