Spectroscopy and Chemometrics News Weekly #7, 2021

NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 6, 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 6, 2021 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 6, 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)

“Evaluation of swelling properties and drug release from mechanochemical pre-gelatinized glutinous rice starch matrix tablets by near infrared spectroscopy” LINK

” Multivariate method for prediction of fumonisins B1 and B2 and zearalenone in Brazilian maize using Near Infrared Spectroscopy (NIR)” | LINK

“Non-destructive determination of fatty acid composition of in-shell and shelled almonds using handheld NIRS sensors” LINK

“Breakthrough instruments and products: Near infrared spectral sensing: Advances in portable instrumentation and implementations” LINK

“Quali-quantitative monitoring of chemocatalytic cellulose conversion into lactic acid by FT-NIR spectroscopy.” LINK

“NIR Spectroscopy Detects Chlorpyrifos-Methyl Pesticide Residue in Rough, Brown, and Milled Rice” LINK


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

“Identification of peach and apricot kernels for traditional Chinese medicines using near-infrared spectroscopy” LINK

“Breakthrough instruments and products: Near infrared spectral sensing: Advances in portable instrumentation and implementations” LINK

“Two-dimensional moisture content and size measurement of pharmaceutical granules after fluid bed drying using near-infrared chemical imaging.” LINK

“Influence of steroids on hydrogen bonds in membranes assessed by near infrared spectroscopy” LINK

“Determination of the oxidative stability of biodiesel fuels by near-infrared spectroscopy” LINK

“In Vitro Spectroscopy-Based Profiling of Urothelial Carcinoma: A Fourier Transform Infrared and Raman Imaging Study” LINK

“Novel alternative use of near-infrared spectroscopy to indirectly forecast 3D printability of purple sweet potato pastes” LINK

“Shortwave infrared hyperspectral imaging system coupled with multivariable method for TVB-N measurement in pork” LINK

Chemometrics and Machine Learning

“Discrimination between wild-grown and cultivated Gastrodia elata by near-infrared spectroscopy and chemometrics” LINK

“A Single Model to Monitor Multistep Craft Beer Manufacturing using Near Infrared Spectroscopy and Chemometrics” LINK

“Noninvasive Blood Glucose sensing by Near-Infrared Spectroscopy based on PLSR Combines SAE Deep Neural Network Approach” LINK

“Comparison of a Low-cost Prototype Optical Sensor with Three Commercial Systems in Predicting Water and Nutrient Contents of Turfgrass: Prediction performance of …” LINK

“Development of NIR-HSI and chemometrics process analytical technology for drying of beef jerky” LINK

“Soil spectroscopy with the use of chemometrics, machine learning and pre-processing techniques in soil diagnosis: Recent advances-A review” LINK

“Application of NIR handheld transmission spectroscopy and chemometrics to assess the quality of locally produced antimalarial medicines in the Democratic Republic of Congo” LINK


“An Accuracy Improvement Method Based on Multi-Source Information Fusion and Deep Learning for TSSC and Water Content Nondestructive Detection in “Luogang” Orange” LINK

Research on Spectroscopy

“Nondestructive methods for determining the firmness of apple fruit flesh” LINK

Equipment for Spectroscopy

“Development of Fluorescence Imaging Technique to Detect Fresh-Cut Food Organic Residue on Processing Equipment Surface” LINK

Process Control and NIR Sensors

“Acid number, viscosity and end-point detection in a multiphase high temperature polymerisation process using an online miniaturised MEMS Fabry-Pérot interferometer.” | LINK

“Real-Time Monitoring of Yogurt Fermentation Process by Aquaphotomics Near-Infrared Spectroscopy.” LINK

Agriculture NIR-Spectroscopy Usage

“Rapid and nondestructive determination of qualities in vacuum packaged catfish (Clarias leather) fillets during slurry ice storage” LINK

“Economic and chemometric studies to supplement food-grade soybean variety development in the Mid-Atlantic region” LINK

“Online Monitoring of Fermented Grains Parameters for Chinese Liquor Brewing Based on Near Infrared Spectroscopy” LINK

Horticulture NIR-Spectroscopy Applications

“Fast, simultaneous and contactless assessment of intact mango fruit by means of near infrared spectroscopy [J]” LINK

“The development of portable detector for apples soluble solids content based on visible and near infrared spectrum.” LINK

“Non-destructive and fast method of mapping the distribution of the soluble solids content and pH in kiwifruit using object rotation near-infrared hyperspectral imaging …” LINK

Food & Feed Industry NIR Usage

“A two-tiered system of analysis to tackle rice fraud: The Indian Basmati study” LINK


Frequently Asked Questions (FAQ)

NIR-Predictor Software

Q: Where are the FAQs of the NIR-Predictor software?
A: The NIR-Predictor FAQ can be found here NIR-Predictor FAQ.


Q: How much is your service (NIR Calibration Models)?
A: Please see Pricing

Q: How many samples do I need to send you for a new calibration?
A: Data samples from 100 – 120 different products to start, at least 60 – 100.

Q: What kind of NIR application you have and what equipment they support?
A: All major NIR and FT-NIR spectrometers and mobile NIR instruments are supported. We deliver the optimal calibration settings for your custom NIR data for your applicative purpose. We do not sell any NIR spectra files or any application/calibration files.

Q: What is the maximal number of parameters of a NIR Calibration?
A: We build and optimize each NIR Calibration for one parameter. That gives the possibility to use all advantages of spectral pre-processing and variable selection to get a robust and precise model. Your data files can contain multiple spectra with multiple parameters (there is no limit).

Q: Is qualification possible with quantitative calibration?
A: For A or B qualification define a product property e.g. name it “quality” where good is 1.0 and bad is 0.0. The quantitative calibration than predicts values around the range 0.0 to 1.0 and that classify the “quality”. A,B or C could also be possible to 0.0 0.5 1.0. Add multiple properties to your samples, like “qualityAB” and “qualityABC” and we try all the properties to calibrate.


Q: Are our NIR Calibration Models independent of any kind of spectrometer?
A: The calibrations we develop with your NIR data are customized for your spectrometer (any brand).

Q: Are the NIR Calibrations compatible with my NIR spectrometer?
A: The customized calibrations based on your data will fit your NIR spectrometer’s resolution and wavelength range.

Q: What do you mean by “to rebuild the calibration in the used software”?
A: Our calibration report says something like: For the given data, the best calibration model required multiplicative scatter correction for preprocessing, a 2nd derivative Savitsky Golay filtering with 15 points window size, PLS with 5 components, etc.

Data Privacy

Q: Do you offer a package NIR spectra – data based on wet Chemistry?
A: We do not sell NIR-Spectral Data.
We develope calibrations from NIR-Spectral + Lab Data.
See also NIR Calibration Service explained

Q: How can I trust your service does not collect/store/giveaway my data?
A: Please read our Terms of Service (TOS). We do not collect your data.
After processing your data into a calibration, your data is deleted from our servers.
You don’t want to trust anyone? Not even your instrument vendor?
Then anonymize your data, with the NIR JCAMP-Anonymizer Software

Q: How to make others have no re-use of my NIR data?
A: Anonymize your data! Here is how:

Prediction Model Adjustment, Model Correction, Model Updates

Q: Why is it recommended to recalibrate the NIRS on an ongoing basis?
A: read more

Q: How to interpret / judge the Calibration Statistics?
A: Interpretation of the Calibration Statistics