Spectroscopy and Chemometrics News Weekly #13, 2019

Laboratory Automation with NIRS Lab Software for Near-Infrared Spectroscopy Analysis Predictions for QA/QC Testing Checking Labs #Food #LabServices #NIRS LINK

Increase Your Profit with optimized NIR Accuracy QA QC Food Feed Lab Agriculture crop grain soybean LINK

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


Spectroscopy and Chemometrics News Weekly 12, 2019 | NIRS NIR Spectroscopy Chemometrics analysis Spectral Spectrometer Spectrometric Analytical Sensors Laboratory Analysis Testing Quality Checking QC QA LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 12, 2019 | NIRS NIR Spektroskopie Chemometrie Analyse Spektrometer Spektral Sensor Nahinfrarot Analysengeräte Labs Analysemethode Analyzer Nahinfrarotspektroskopie LINK

Spettroscopia e Chemiometria Weekly News 12, 2019 | NIRS Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Sensore Attrezzatura analitica Laboratorio analisi prova qualità LINK


“Fast Inline Tobacco Classification by Near-Infrared Hyperspectral Imaging and Supporting Vector Machines-Discriminant Analysis” LINK

“Optimized Prediction of Reducing Sugars and Dry Matter of Potato Frying by FT-NIR Spectroscopy on Peeled Tubers” LINK

“Identification of phenolic and alcoholic compounds in wine spirits and their classification by use of multivariate analysis” LINK

“Editorial: Chemometrics-based Spectroscopy for Pharmaceutical and Biomedical Analysis” LINK

“End‐to‐end quantitative analysis modeling of near‐infrared spectroscopy based on convolutional neural network” LINK

“Using interpretable fuzzy rule-based models for the estimation of soil organic carbon from VNIR/SWIR spectra and soil texture” LINK

“Fraud detection in hen housing system declared on the eggs’ label: An accuracy method based on UV-VIS-NIR spectroscopy and chemometrics” LINK

“In vivo characterization of cervical remodeling throughout gestation using photoacoustic near-infrared spectra (Conference Presentation)” PANIR LINK

” Classification Method for Viability Screening of Naturally Aged Watermelon Seeds Using FT-NIR Spectroscopy” LINK

Near Infrared

“Potential of fourier transformed near-infrared (FT-NIR) spectroscopy for rapid analysis of elderberry (Sambucus nigra L.) fruits” LINK

NIRS quantification of lake sediment composition by multiple regression using end-member spectra | just published novel approach interpreting Near Infrared Spectra applied to lake sediments LINK

“Interferometric near-infrared spectroscopy (iNIRS) of human tissues in the presence of motion (Conference Presentation)” LINK

“玉米秸秆纤维素和半纤维素 NIRS 特征波长优选” “Optimization of Characteristic Wavelength Variables of Near Infrared Spectroscopy for Detecting Contents of Cellulose and Hemicellulose in Corn Stover” LINK

“可见-近红外光谱的古陶瓷断代分类识别” “Visible-Near Infrared Spectroscopy Based Chronological Classification and Identification of Ancient Ceramic” UV VIS NIRS LINK

“近红外光谱的古筝面板用木材等级识别研究” “A Method for Identifying Wood Grades of Chinese Zither Panel Based on Near Infrared Spectroscopy” NIRS LINK

“特征分层结合改进粒子群算法的近红外光谱特征选择方法研究” “Study on Feature Selection of Near Infrared Spectra Based on Feature Hierarchical Combining Improved Particle Swarm Optimization” LINK

“Application of vibrational spectroscopy for classification, authentication and quality analysis of mushroom: A concise review” NIRS LINK


“Effect of the chain length on near-infrared spectra of 1-alcohols from methanol to 1-decanol” LINK

“Study of Bismuth-Containing Composites Based on Thermally Modified Porous Glass with Low Additions of P2O5 and Fluorine Ions by the Near Infrared Spectroscopy Method” LINK

“Quality evaluation of flue-cured tobacco by near infrared spectroscopy and spectral similarity method” LINK

“Using Near Infrared Spectroscopy to Quickly Analyze Different Nitrogens during the Shortcut Biological Removal of Nitrogen from a Polluted River” LINK

“Real-Time Release Testing of Herbal Extract Powder by Near-Infrared Spectroscopy considering the Uncertainty around Specification Limits” LINK

“Potential of near infrared spectroscopy as a rapid method to detect aflatoxins in brown rice” LINK

“木材种类的近红外光谱和模式识别” “Identification of Wood Species Based on Near Infrared Spectroscopy and Pattern Recognition Method” LINK

“Near infrared spectrometry of humic acid content in fertilizers at different levels of granularity” LINK

“Near infrared optical biosensor based on peptide functionalized single-walled carbon nanotubes hybrids for 2,4,6-trinitrotoluene (TNT) explosive detection.” LINK


“Development of a low cost SWIR spectrometer for low resource settings (Conference Presentation)” LINK

Food & Feed

“Using near-infrared (NIR) spectroscopy for rapid, quantitative detection of kojic acid in wheat flour.” LINK


“Conjugated Polymers with Benzothiadiazole and Benzotriazole Moieties for Polymer Solar Cells” LINK


“A strategy to assess quality consistency of drug products” LINK

“Advances in Nondestructive Methods for Meat Quality and Safety Monitoring” LINK


“ウンシュウミカンでの β-クリプトキサンチンの可視・近赤外分光法による非破壊計測法” LINK

Spectroscopy and Chemometrics News Weekly #49, 2018


NIR Machine Learning Software as a Service, a Game Changer for NIR Productivity and NIR Accuracy and NIR Precision! ( NIRS Spectroscopy AI MLaaS AutoML) LINK

Spectroscopy and Chemometrics News Weekly 48, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors Spectrometry LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 48, 2018 | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor LINK

Spettroscopia e Chemiometria Weekly News 48, 2018 | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore LINK


“Using deep learning to predict soil properties from regional spectral data” LINK

“Determination of Pesticide in Banana by Infrared Spectroscopy Using Partial Least Square-Discriminant Analysis” LINK

“Quantification of Different Forms of Iron from Intact Soil Cores of Paddy Fields with Vis-NIR Spectroscopy” LINK

“A Vis-NIR spectral library to predict clay in Australian cotton growing soil” LINK

Near Infrared

“Water spectral pattern as a marker for studying apple sensory texture” aquaphotomics crispness juiciness mealiness NIR LINK

“Near-Infrared (NIR) Spectrometry as a Fast and Reliable Tool for Fat and Moisture Analyses in Olives” LINK

“A New Statistical Approach to Describe the Quality of Extra Virgin Olive Oils Using Near Infrared Spectroscopy (NIR) and Traditional Analytical Parameters” LINK

“Olive oil nutritional labeling by using Vis/NIR spectroscopy and compositional statistical methods” LINK

“Sparse NIR Optimization method (SNIRO) to quantify analyte composition with visible (VIS)/near infrared (NIR) spectroscopy (350nm-2500nm)” LINK

“Monitoring the growth and maturation of apple fruit on the tree with handheld Vis/NIR devices” LINK


“Direct Determination of Ni2+-Capacity of IMAC Materials Using Near-Infrared Spectroscopy” LINK

“Quantitative analysis of quality for marian plum (Bouea burmanica Griff.) by transmittance near infrared spectroscopy” LINK

“Variable selection for the determination of total polar materials in fried oils by near infrared spectroscopy” LINK

“Biodiesel Synthesis Monitoring using Near Infrared Spectroscopy” LINK

“Non-destructive chemical analysis of water and chlorine content in cement paste using near-infrared spectroscopy” LINK


“Identification of Maize Kernel Vigor under Different Accelerated Aging Times Using Hyperspectral Imaging” LINK


“Interval Multiple-output Soft sensors Development with Capacity Control for Wastewater Treatment Applications: A Comparative Study” LINK


“Nondestructive measurements of postharvest changes in lamb’s lettuce” LINK

Spectroscopy and Chemometrics News Weekly #31, 2018


How to Configure the Number of Layers and Nodes in NeuralNetworks: BigData DataScience AI MachineLearning DeepLearning Algorithms by Source for graphic: | abdsc (2018.08.02) LINK

“Visible-Near-Infrared Spectroscopy can predict Mass Transport of Dissolved Chemicals through Intact Soil.” (2018.08.02) LINK

“Classification and compositional characterization of different varieties of cocoa beans by near infrared spectroscopy and multivariate statistical analyses.” (2018.08.02) LINK

“Classification of Chicken Parts Using a Portable Near-Infrared (NIR) Spectrophotometer and Machine Learning.” (2018.08.02) LINK

“Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression” (2018.07.31) LINK

“Evaluating the performance of a consumer scale SCiO™ molecular sensor to predict quality of horticultural products” (2018.07.30) LINK

“Estimation of Total Phenols, Flavanols and Extractability of Phenolic Compounds in Grape Seeds Using Vibrational Spectroscopy and Chemometric Tools” (2018.07.26) LINK

Near Infrared

“FT-NIR, MicroNIR and LED-MicroNIR for Detection of Adulteration in Palm Oil via PLS and LDA” FTNIR NIRS (2018.08.03) LINK

“Long-Length Fiber Optic Near-Infrared (NIR) Spectroscopy Probes for On-Line Quality Control of Processed Land Animal Proteins” (2018.08.03) LINK

“Near-infrared spectroscopy for rapid and simultaneous determination of five main active components in rhubarb of different geographical origins and processing.” (2018.08.02) LINK

“Marktech Optoelectronics Introduces Silicon Avalanche Photodiodes for Low-Level Light and Short Pulse Detection” UV NIR NIRS SWIR (2018.08.02) LINK

“Innovative Technology Promises Fast, Cost-Efficient Age Data for Fisheries Management” FTNIR (2018.07.31) LINK

“Rapid qualitative and quantitative analysis of methamphetamine, ketamine, heroin, and cocaine by near-infrared spectroscopy.” (2018.07.31) LINK

We (led by ) have been independently assessing thew value of consumer scale NIR devices for horticultural quality assessment. Here is our published work assessing (2018.07.30) LINK


“Fault Detection Based on Near-Infrared Spectra for the Oil Desalting Process” (2018.08.05) LINK

“Common Infrared Optical Materials and Coatings: A Guide to Properties, Performance and Applications” (2018.08.04) LINK


SpectraBase – FREE, fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra! spectroscopy (2018.08.02) LINK


“Three-Dimensional Reconstruction of Soybean Canopies Using Multisource Imaging for Phenotyping Analysis” (2018.08.03) LINK

“Smartphone Spectroscopy Promises a Data-Rich Future – An upsurge of portable, consumer-facing devices at the intersection of smartphone computing and spectroscopy is now leveraging integration. ” (2018.08.02) LINK

Innovative Technology Promises Fast, Cost-Efficient Age Data for Fisheries Management (2018.07.31) LINK

“Smartphone-Based Food Diagnostic Technologies: A Review” (2018.07.30) LINK


“Detection, Purity Analysis, and Quality Assurance of Adulterated Peanut (Arachis Hypogaea) Oils” (2018.08.02) LINK


“Potential of near infrared spectroscopy and pattern recognition for rapid discrimination and quantification of Gleditsia sinensis thorn powder with adulterants.” (2018.08.02) LINK


A micro-spectrometer fit for a smartphone: Could the power to measure things like CO2, food freshness, and blood sugar levels soon be in the palm of our hands? |rld/magazine/article/323/micro-spectrometer-opens-door-to-a-wealth-of-new-smartphone-functions?utm_source=twitter.com/CalibModel health safety medicine spectroscopy (2018.02.25) LINK

“Near-infrared spectroscopy detects age-related differences in skeletal muscle oxidative function: promising implications for geroscience.” (2018.02.08) LINK


69% of decision makers say industrial analytics will be crucial for business in 2020. | IoT IIoT MT LINK


Free Chemometric NIR Predictor Software! Simple plug&play calibrations, drag&drop spectral data, for any NIRS sensor device. Easy to use software for off-line and real-time prediction without limits. offline realtime (2018.08.04) LINK

Automated NIRS spectroscopy chemometrics method development with MachineLearning for spectrometer Spectral IoT sensor SmartSensor SmartSensors (2018.07.25) LINK

Automatic NIR Spectroscopy Calibration-Development as a Service. Applicable with free NIR-Predictor software or via OEM API. | NIRSpectroscopy NearInfrared NIRanalysis spectrometers DataAnalytics Regression Spectral Sensors QualityControl Lab (2018.07.26) LINK

Increase Your Profit with optimized NIRS Accuracy with Calibration as a Service (CaaS) and the new free NIR-Predictor software. | foodsafety Feed Lab QC QA testing (2018.08.03) LINK

New : FREE NIR Predictor Software, drag&drop spectral data to plug&play calibrations, for any NIRS Analysis sensor type. | Chemometrics Prediction (2018.07.24) LINK

Spectroscopy and Chemometrics News (KW 11-30 2018) | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors (2018.07.25) LINK

Spektroskopie und Chemometrie Neuigkeiten (KW 11-30 2018) | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor (2018.07.25) LINK

Spettroscopia e Chemiometria Weekly (KW 11-30 2018) | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore (2018.07.25) LINK

光谱学和化学计量学新闻(KW#11-#30 2018) | 近红外光谱化学计量学分析光谱仪传感器 (2018.07.26) LINK

分光法とケモメトリックスニュース(KW#11-#30 2018) | 赤外分光法・ケモメトリックスの分光センサーの近く (2018.07.26) LINK

Spectroscopy and Chemometrics News Weekly 2018: #44-52, 2017


Understanding the molecular interaction in solutions by chemometric resolution of near−infrared spectra… (2017.12.20) LINK

Application of near-infrared spectroscopy combined with chemometrics for online monitoring of Moluodan… (2017.12.05) LINK

“Assessment of mefenamic acid polymorphs in commercial tablets using chemometric coupled to MIR and NIR… (2017.12.05) LINK

“Multiproduct, Multicomponent and Multivariate Calibration: a Case Study by Using Vis-NIR Spectroscopy” (2017.12.05) LINK

Traceability of Active Compounds of Essential Oils in Antimicrobial Food Packaging Using a Chemometric Method by AT… (2017.11.21) LINK

Visualization of hydrolysis in polylactide using near-infrared hyperspectral imaging and chemometrics (2017.11.06) LINK

Clever chemometrics catches funny honey cheats (2017.11.06) LINK

Quantification of soil Properties with Hyperspectral Data. : Selecting Spectral Variables (2017.11.06) LINK

Linear Multi-Task Learning for Predicting Soil Properties Using Field spectroscopy (2017.11.06) LINK

Near Infrared

“Near infrared reflectance spectroscopy NIRS to predict fecal indigestible neutral detergent fiber for dairy cows” |(17)31149-9/fulltext (2017.12.30) LINK

New post: NIR imaging helps improve seed QC (2017.12.30) LINK

“Robust new NIRS coupled with multivariate methods for the detection and quantification of tallow… (2017.12.24) LINK

Global Process Spectroscopy Market (2017-2023): Growing Demand For NIR Spectroscopy – Research and Markets (2017.12.11) LINK

The combination of NIR spectroscopy and HPLC chromatography for differentiating lotus seed cultivars and… (2017.11.29) LINK

Fast, Low-Cost and Non-Destructive Physico-Chemical Analysis of Virgin Olive Oils Using NIR Reflectance Spectroscopy (2017.11.17) LINK

Near infrared signature of opal and chalcedony as a proxy for their structure and formation conditions /papers/ejm/detail/29/87623/Near_infrared_signature_of_opal_and_chalcedony_as_a_proxy_for_their_structure_and_formation_conditions (2017.11.06) LINK

NIR technology enables precise sorting in fractions of a second (2017.11.06) LINK

“Theoretical and technical advancements of near-infrared spectroscopy and its operational impact in industry” (2017.10.25) LINK

Quantum mechanically calculated NIR spectra of fatty acids | NIRS fattyacids (2017.10.25) LINK


“Discrimination of CRISPR/Cas9-induced mutants of rice seeds using near-infrared hyperspectral imaging.”… (2017.11.23) LINK

Protein content prediction in single wheat kernels using hyperspectral imaging. | HSI… (2017.11.17) LINK

NIR hyperspectral imaging with multivariate analysis for measurement of oil and protein contents in peanut varieties (2017.11.06) LINK

Spectral Imaging

“Color and Spectral Imaging with Smartphones – current and future developments” (2017.12.20) LINK


“Global $6.4 Billion Molecular Spectroscopy Market to 2024” – BusinessWire | Spectroscopy (2017.11.21) LINK


Specim launched SPECIM IQ, the world’s first mobile hyperspectral camera that allows you to analyze material samples an… (2017.12.05) LINK!

Wireless Handheld Spectrometer Transmits Data to Smartphone (2017.11.09) LINK

“Infrared spectrometers: NIR and MIR compared” | Infrared spectrometer (2017.10.19) LINK


Another infographic to illustrate an answer to the questions: What is DataScience in the context of BigData DataMining… (2017.12.30) LINK!

Vis-NIR Spectroscopy and PLS Regression with Waveband Selection for Estimating the Total C and N of Paddy Soils in.. (2017.11.06) LINK


Near-Infrared Spectrum Detection of Wheat Gluten Protein Content Based on a Combined Filtering Method. (2017.12.30) LINK

Non-destructive technique for determining the viability of soybean (Glycine max) seeds using FT-NIR spectroscopy. (2017.10.20) LINK

Mid- and near-IR spectroscopy diagnostic tools developed under EU project (2017.10.19) LINK

“Supercontinuum Lasers Lead to Better Bread and Beer” | barley grains beta-glucan seed sorting (2017.10.19) LINK

Fluorescence and Reflectance Sensor Comparison in Winter Wheat (2017.10.03) LINK

Food & Feed

“Food Safety for the 21st Century” | FSMA spectroscopy blockchain (2017.10.19) LINK


Das KI-basierte Unternehmen wird Realität – Schnelle Materialanalyse auf dem Smartphone (2017.11.21) LINK

Spectroscopy and Chemometrics News Weekly #38-#42, 2017

Near Infrared

UV-VIS, NIR, FTIR, Raman, fluorescence, XRF brands with recognized file formats by optical spectroscopy software http… LINK!

“Shrinking FT-NIR Spectrometers Empower Consumers, Businesses” | NIRS sensors LINK

Feasibility of near infrared transmittance spectroscopy to predict cheese ripeness |(17)30860-3/abstract NIRS predict cheese ripeness LINK

John Deere HarvestLab 3000 uses NIR Spectroscopy to evaluate constituent characteristics such as protein, NDF, ADF LINK

Near-Infrared Spectroscopy of Limestone Ore for CaO Estimation under Dry and Wet Conditions LINK


“Infrared spectrometers: NIR and MIR compared” | Infrared spectrometer LINK

“Shrinking FT-NIR Spectrometers Empower Consumers, Businesses” NeoSpectraMicro spectral sensors technology https://… LINK!

How to Design a Spectrometer | grating spectrograph Spectrometer engineering optical absorption LINK


Real-Time Food Authentication Using a Miniature Mass Spectrometer LINK


Non-destructive technique for determining the viability of soybean (Glycine max) seeds using FT-NIR spectroscopy. LINK

Mid- and near-IR spectroscopy diagnostic tools developed under EU project LINK

“Supercontinuum Lasers Lead to Better Bread and Beer” | barley grains beta-glucan seed sorting LINK

Fluorescence and Reflectance Sensor Comparison in Winter Wheat LINK

Food & Feed

“Food Safety for the 21st Century” | FSMA spectroscopy blockchain LINK


Development and Bioanalytical Applications of a White Light Reflectance Spectroscopy Label-Free Sensing Platform LINK


Spectroscopy Could Simplify Soil Texture Analysis LINK

Effects of Moisture & Particle Size on Quantitative Determination of TOC in Soils Using NIR Spectroscopy LINK

A global spectral library to characterize the world’s soil LINK


Feasibility of near infrared transmittance spectroscopy to predict cheese ripeness. LINK

Chemometric compositional analysis of phenolic compounds in fermenting samples & wines using infrared spectroscopy. LINK

… Chemometric tactics for spectral data compression combined with likelihood ratio approach. LINK

Data Augmentation of Spectral Data for Convolutional Neural Network (CNN) Based Deep Chemometrics | DeepLearning LINK

First revolutionary NIR seed calibration robot makes predicting quality seeds easy, debuts at seedme… LINK!

Chemometrics: Data Driven Extraction for Science, 2nd Edition LINK

Near Infrared Spectrometry for Rapid Non-Invasive Modelling of Aspergillus-Contaminated Maturing Kernels of Maize LINK

Selecting the number of factors in principal component analysis by permutation testing—Numerical & practical aspects LINK

“Calibration Transfer Chemometrics, Part I: Review of the Subject” | NIRS Spectroscopy Chemometrics LINK

Extraction optimization and pixel-based chemometric analysis of semi-volatile organic compounds in groundwater LINK


Spectroscopy and Chemometrics News Weekly 31-37, 2017 | Molecular Spectroscopy NIRS Chemometrics Sensors LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 31-37, 2017 | NIRS Spektroskopie Chemometrie Sensor LINK

Spettroscopia e Chemiometria Weekly News 31-37, 2017 | NIRS Spettroscopia Chemiometria sensore LINK

Summary of the NIR Chemometric survey polls

Summary of the NIR Chemometric survey polls (as of end of Sept. 2013)

The interesting finding is that most of the answers fit the following pattern. The most companies that use NIR have one NIR Instrument and only one employee that is able to develop NIR calibrations. For that the most common off-the-shelf chemometrics program is used and spent 2 hours or over a month and therefore gets no calibration training about the complex topics like Chemometrics and NIR Spectroscopy or only once (introduction). The calibration maintenance ranges from never to 3 times a year. Interestingly, there was no one who uses portable NIR instruments. We continue our surveys, for the discovery of new trends. Conclusion Seeing this picture, we think that there is huge potential to improve the calibrations. Advanced knowledge can help individuals to build the calibrations with best practices and improve their models accuracy and reliability. Once the decision and investment in NIR technology is done, you should get the best out of your data, because this extra NIR performance can be given by calibration optimization. We offer this as an easy to use and independent service.

NIR Spectroscopy and Chemometric surveys, polls and assessments

1. Calibration Developers
How many persons in your company are able to develop a NIR Calibration?

2. Calibration Development
How much time do you spend to develop a calibration model?

3. Chemometric Software / Spectroscopy Software
Which Chemometric Software are you using for NIR?

4. NIR Spectrometer Brand
Which NIR Spectrometer Brand do you use?

Please vote and see the assessments below.

Part 2, Part 3
[yop_poll id=”5″] [yop_poll id=”4″]
[yop_poll id=”2″] [yop_poll id=”3″]

Part 2, Part 3

Recent advanced chemometric methods

You are searching for recent advanced chemometric methods to get better calibration models for NIR? Methods and algorithms like:
  • Artificial Neural Networks (ANN)
  • General Regression Neural Networks (GR-NN)
  • RBF Neural Networks (RBF-NN)
  • Support Vector Machines (SVM)
  • Multiway Partial Least Squares (MPLS),
  • Orthogonal PLS (OPLS), (O-PLS), OPLS-AA, OPLS-ANN
  • Hierarchical Kernel Partial Least Squares (HKPLS)
  • Random Forest (RF)
  • etc.
and data pre-processing methods like
  • Extended Multiplicative Signal Correction (EMSC)
  • Orthogonal Signal Correction (OSC)
  • Dynamic Orthogonal Projection (DOP)
  • Error Removal by Orthogonal Subtraction (EROS)
  • External Parameter Orthogonalization (EPO)
  • etc.
that are partly available as modules for software packages like Matlab, Octave, R-Project, etc. Why invest a lot of time and money with new tools? Have you tried it really hard to optimize your calibrations with standard chemometrics methods like Partial Least Squares (PLS), Principal Component Regression (PCR) and Multiple Linear Regression (MLR) which are available in all chemometric software packages? Are you sure you have tried all the good rules and optimization possibilities? Get it done right with the compatible standard methods, we are specialized in optimization and development of NIR calibrations, let us help you, give us a try!




  • Chemometrics is the science of extracting information from chemical systems by data-driven means. It is a highly interfacial discipline, using methods frequently employed in core data-analytic disciplines such as multivariate statistics, applied mathematics, and computer science, in order to address problems in chemistry, biochemistry, medicine, biology and chemical engineering. In this way, it mirrors several other interfacial ‘-metrics’ such as psychometrics and econometrics.
    Wikipedia (2012)

  •  Chemometrics is the science of relating measurements made on a chemical system or process to the state of the system via application of mathematical or statistical methods. Chemometric research spans a wide area of different methods which can be applied in chemistry. There are techniques for collecting good data (optimization of experimental parameters, design of experiments, calibration, signal processing) and for getting information from these data (statistics, pattern recognition, modeling, structure-property-relationship estimations). Chemometrics tries to build a bridge between the methods and their application in chemistry.
    The International Chemometrics Society (ICS)

  • Chemometrics is what chemometricians do.
    – Anonymous

  • Chemometrics is the application of mathematical and statistical techniques in chemistry.

  • Chemometrics is the application of mathematical or statistical methods to chemical data.