Spectroscopy and Chemometrics News Weekly #41, 2018

CalibrationModel.com

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

Near Infrared (NIR) Analysis Software, work smart with all NIR Spectrometers for quantitative sensing & detection. | AnalyticalChemistry LabManger Chemical Analysis Equipment ChemicalAnalysis Analytical Instruments Laboratory LabEquipment LINK

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

Spectroscopy and Chemometrics News Weekly 40, 2018 | NIRS Spectroscopy Chemometrics analysis Spectral Spectrometer Sensors LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 40, 2018 | NIRS Spektroskopie Chemometrie analyse Spektral Spektrometer Sensor LINK

Spettroscopia e Chemiometria Weekly News 40, 2018 | NIRS Spettroscopia Chemiometria analisi Spettrale Spettrometro Sensore LINK




Chemometrics

“Classification of different animal fibers by near infrared spectroscopy and chemometric models” LINK

“Discrimination of organic and conventional rice by chemometric analysis of NIR spectra: a pilot study” LINK

“Discrimination between conventional and omega-3 fatty acids enriched eggs by FT-Raman spectroscopy and chemometric tools” omega3 LINK

“Quantification of mineral composition of Brazilian bee pollen by near infrared spectroscopy and PLS regression.” LINK

“Sex determination of silkworm pupae using VIS-NIR hyperspectral imaging combined with chemometrics.” LINK




Near Infrared

“Spinning-disc confocal microscopy in the second near-infrared window (NIR-II)” Fluorescence LINK

“Measuring the brain’s fast optical signal could speed up Brain–computer interfaces (BCI) response” NIRS LINK

“Bioprofiling for the quality control of Egyptian propolis using an integrated NIR-HPTLC-image analysis strategy.” LINK

“lab for the pocket” hertzstueck NIRS LINK

“NIR gas phase spectroscopy – Pressure broadening effects” LINK

“Near-infrared Band Used for Permanent, Wireless Self-charging System – R & D Magazine” LINK

“Non-Destructive NIR Spectral Imaging Assessment of Bone Water: Comparison to MRI Measurements” – NIRS vs. Magnetic Resonance Imaging LINK




Infrared

“Near-infrared spectroscopy could improve flu vaccine manufacturing” LINK

“Detection of Alone Stress and Combined Stress by CU and NI in Wheat Using Visible to Near-Infrared Spectroscopy” LINK

“A Novel Method for Classifying Driver Cognitive Distraction under Naturalistic Conditions with Information from Near-Infrared Spectroscopy” LINK




Agriculture

“Quality evaluation of fried soybean oil base on near infrared spectroscopy” LINK

Curious about new developments in various fields of spectroscopy and their application in plant sciences? Register now for the International Plant Spectroscopy Conference (IPSC) organised by our colleagues in Berlin, March 24-28th, 2019: LINK

“Application of Vibrational Spectroscopy and Imaging to Point-of-Care Medicine: A Review” LINK




Food & Feed

“From NIR spectra to singular wavelengths for the estimation of the oil and water contents in olive fruits” LINK




Medicinal

“New, noninvasive blood glucose test as effective as finger prick test – Clinical Innovation + Technology” Raman spectroscopy LINK




Laboratory

so, spent some time down the hardware rabbit hole. the core sensors, | is available in a number of combos, on a number of boards; e.g. | LINK










Spectroscopy and Chemometrics News Weekly #31, 2018

Chemometrics

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



Infrared

“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



Raman

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



Agriculture

“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



Petro

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



Pharma

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



Medicinal

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




Other

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





CalibrationModel.com

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 #01-#10 2018

Chemometrics

Check out Applied Spectroscopy’s special issue on chemometrics! (2018.03.10) LINK

“Development and Validation of a New Methodology to Assess the Vineyard Water Status by On-the-Go Near Infrared Spe… (2018.02.27) LINK

“Outliers, Part II: Pitfalls in Detecting Outliers” (2018.02.22) LINK

Identification of ground meat species using near-infrared spectroscopy and class modeling techniques – Aspects o… (2018.01.31) LINK

“Combining Broadband Spectra and MachineLearning to Derive Material Properties” – Steve Buckley (2018.01.31) LINK

Near Infrared

“Near-Infrared Spectroscopic Study of Chlorite Minerals” (2018.02.27) LINK

“Comparison of Methods for Estimating Mechanical Properties of Wood by NIR Spectroscopy” | NIRS (2018.02.25) LINK

“Verification of Pharmaceutical Raw Materials Using FT-NIR Spectroscopy” | FTNIR (2018.02.19) LINK

“The scanner claims to help stylists determine natural hair color & health through the use of near-infrared and vi… (2018.02.05) LINK

Near-infrared reflectance spectroscopy (NIRS) calibrations for assessment of oil, phenols, glucosinolates and fat… (2018.02.02) LINK

This is how I choose avocados for dinner – see a video of our new VNIR hyperspectral sensor demo in action! https://t.… (2018.02.02) LINK!

Near infrared chemical analysis technique is a small piece of a big cake a large part of study known as spectroscopy.… (2018.01.09) LINK!

mRMR-based wavelength selection for NIRS quantitative detection of Chinese yellow wine (2018.01.09) LINK

Saturn’s north polar hexagon in near-infrared, February 13 2017. Processed using data – (2018.01.08) LINK!

Infrared

Research on the Effects of Drying Temperature on Nitrogen Detection of Different Soil Types by Near Infrared… (2018.02.02) LINK

Application of Near Infrared Reflectance Spectroscopy for Rapid and Non-Destructive Discrimination of Hulled Barl… (2018.01.09) LINK



Hyperspectral

Press Release – Imec demonstrates Shortwave Infrared (SWIR) range hyperspectral imaging camera | http… (2018.02.02) LINK

Equipment

A micro-spectrometer fit for a smartphone: Could the power to measure things like CO2, food freshness, and blood su… (2018.02.25) LINK

TactiScan – unforeseen safety, efficiency and accuracy for detecting illicit narcotics. Visit TactiScan’s website for… (2018.02.22) LINK!

Ocean Optics () partners with Pyreos () on mid-IR spectroscopy solutions; laserfocusworld; see… (2018.02.08) LINK!

Ibsen ( ) Launches new Compact Spectrometer with Improved Resolution and 4096 Pixels (2018.02.02) LINK

Light Sensors: The Absorption Spectrometer, LIDAR, and Thermal Cameras on Display at CES 2018 (2018.02.02) LINK

more PIXELS … “Spectroscopy: The full spectrum” (2018.02.02) LINK

Process Control

Development of NIR-Spectroscopy-based Process Monitoring Methodology for Pharmaceutical Continuous Manufacturing … (2017.08.18) LINK



Environment

Nonlinear Regression with High-Dimensional Space Mapping for Blood Component Spectral Quantitative Analysis (2018.02.02) LINK

Agriculture

Where Agriculture and Blockchain Could Meet (2018.02.02) LINK

Food & Feed

Rapid Determination of Active Compounds and Antioxidant Activity of Okra Seeds Using Fourier Transform Near Infrare… (2018.03.03) LINK

Fascinating read: Using spectroscopy to detect if milk is really grass-fed. One way to validate NZ’s high-value food? The bes… (2018.02.08) LINK!

“How To Detect Coffee Fraud By Quantifying Robusta In Arabica Coffee Blends” – (2018.02.08) LINK

Measuring protein in semolina flour and durum wheat using Near Infrared Spectroscopy – Near Infrared Spectroscopy m… (2018.01.09) LINK

Medicinal

“Near-infrared spectroscopy detects age-related differences in skeletal muscle oxidative function: promising imp… (2018.02.08) LINK



Other

These are the best countries and cities for attracting and developing talent | work (2018.02.14) LINK

ESA’s first launch of 2018 goes up tomorrow from China – it’s only the size of a cereal box but equipped with micro-propulsio… (2018.02.02) LINK!

Hi, I’m a chemistry prof who loves over-the-top makeup. I’m teaching spectroscopy today, so seemed appropriate. Colors… (2018.02.02) LINK!

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

Chemometrics

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


Hyperspectral

“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




Spectroscopy

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


Equipment

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


Environment

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


Agriculture

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


Other

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



Equipment

“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

Equipment

Real-Time Food Authentication Using a Miniature Mass Spectrometer LINK



Agriculture

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



Laboratory

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



Environment

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



Chemometrics

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



CalibrationModel.com

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




Spectroscopy and Chemometrics News Weekly #48+49, 2016

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



Near Infrared

Cannabis Analysis – On-Site Determination of Cannabis Strength using FT-IR Spectrosocopy FTNIR Ingredients LINK

Near Infrared NIRS, GC and HPLC Applications in Cannabis Testing THC CBD LINK

Raman

What happens when you use Raman spectroscopy to discriminate between brands of extra-virgin olive oil LINK

Raman spectroscopy of chocolate bloom LINK


Hyperspectral

Hyperspectral photoluminescence imaging of defects in solar cells | solar cells via LINK


Agriculture

Soy meal Protein bands LINK

Vitamin C distribution in acerola fruit by near infrared hyperspectral imaging HSI LINK


Equipment

Spectroscopists need freedom to analyse their spectral data, uncoupled from spectrometer hardware! LINK!


Chemometrics

Quality parameters in Castanhola fruit by NIRS to development of prediction models using PLS … in laboratory scale LINK

Monitoring Process-Water Quality Using NIRS and PLSR with Prediction Uncertainty Estimation LINK


Food & Feed

NIR diffuse reflection analysis of fruit – Food Science & Technology LINK


Agriculture

Innovation für die Obstwirtschaft: Neue Ansätze zur Messung und Vorhersage der Apfelqualität MONALISA LINK


Other

Hackers beware! Faking 3D-printed products just got harder. Full-spectrum spectroscopy for the win! LINK!

3D NDVI, using a low cost multi spectral camera. LINK

On the Generation of Random Multivariate Data | Multivariate Data LINK


CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 46+47, 2016 | Spectroscopy NIRS Multivariate DataAnalysis Software LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 46+47, 2016 | NIRS Spektroskopie Multivariate DatenAnalyse LINK

Spettroscopia e Chemiometria Weekly News 46+47, 2016 | NIRS Spettroscopia Chemiometria LINK


NIR Spectroscopy and Chemometric surveys, inquiry, polls and assessments (Part 3)


10. NIR in Supply Chain
Where in the supply chain are your NIR instruments located?

11. NIR Usage
How long has your company used NIR spectroscopy?

12. NIR instruments
How many NIR instrument units are in use in your company?

13. NIR Mobile
How much is the mobile hand-held percentage of total NIR devices in your company?

14. Calibration Source
How do you get the NIR Calibrations developed?

15. Calibration Training
How often do the operators get training about NIR Spectroscopy and Chemometrics?

16. NIR PreCalibrations
How many NIR Pre-Calibration, NIR factory calibrations or NIR starter calibrations have you in use?

17. Calibration Spectra
How many Spectra does your quantitative Calibration have in average?

Please vote and see the assessments below.

Part 1, Part 2
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[yop_poll id=”17″] [yop_poll id=”15″]

Part 1, Part 2

NIR Spectroscopy and Chemometric surveys, polls and assessments (Part 2)


5. Calibration Precision
What do you believe, can NIR calibration models be more precise than reference values?

6. Calibration Maintenance
How often do you update your quantitative calibrations per year?

7. Quantitative Calibrations
How many quantitative (%) calibrations do you have in use?

8. Quantitative Parameters
In all your quantitative calibrations, how many parameters (properties) you have in total?

9. Qualitative Calibrations
How many qualitative (identification) calibrations do you have in use?

Please vote and see the assessments below.
Part 1, Part 3
[yop_poll id=”6″] [yop_poll id=”7″]
[yop_poll id=”8″] [yop_poll id=”9″]
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Part 1, Part 3

What is a NIR calibration used for?

NIR calibrations are used for NIR contents analysis as a productive analytical method. That is a two step procedure.
  1. A NIR analyzer does a non-destructive optical scan of a sample that yields a measured spectrum in seconds.
  2. A NIR calibration model can quantitatively predict (analyze, determine, estimate) multiple constituents, ingredients, contents, analytes, assay, API and other parameters and attributes (chemical, physical, biological, biochemical, sensory) summarized as properties, out of a single spectrum in milli seconds.
The NIR analysis is a very fast non-destructive analysis method that can replace or backup slower methods like wet chemical analysis, chemistry laboratory, sensory panels or rheology (viscosity). Or a NIR calibration can open the door to new possibilities of analytics, quality assurance and process control, by developing calibration models for parameters that seems to be impossible, because they are based on human knowledge, empirical values or sensory like taste value. If you have an NIR instrument, you can measure your samples systematically and thus develop your own calibration models.

What are pre-developed NIR pre-calibrations?

There are a lot of terms that means the same, pre-calibration or NIR starter calibration or pre-built calibration or pre-installed calibration orcalibration package or pre-developed calibrations or pre-calibrated NIR or global calibrations or nir global calibration package or factory calibrations or universal near-infrared (NIR) calibrations or local calibrations or ready-to-use NIR calibrations or off-the-shelf calibrations or factory-calibrated or pre calculated model or start-up calibrations or calibration equations or prefabricated nir calibrations or calibration library or mathematical model. That are Calibration models that are prepared and developed by a calibration specialist. They have collected a lot of samples over years and measured them with NIR and analyced it with reference methods. The NIR spectra are then calibrated against the reference values. This is called a NIR calibration or calibration model or sometimes calibration curve or calibration equation. Normally a precalibration is delivered as a file that is compatible to the used NIR analysis software. Such a calibration file does not contain the spectra nor the reference values.

So how can that work?

The only thing that is in the file is a description what it is for (e.g. protein in feed) and the chemometric model that is represented and stored as list of vectors and matrices. You can’t visualize them, it’s a black-box file. You have no insight of how the calibration is done, how are the settings, how is the prediction performance. You can not extend the calibration with your data to adjust it to your purpose or specialty. Most often the pre calibration files are protected, so you can use it only with a paid license to your software or even to your instrument serials number. These are some (not well known) limitations you will discover if you got one. But such starter calibrations are very useful to have a fast and easy start with a new NIR spectrometer. That’s the main reason why pre-calibrations are available. The second reason is that a collection of spectra can be reused to build such pre calibrations.

Predicting the future?

Are very old spectra useful to predict the future? To adjust a calibration model with newly collected data, the calibrations grows and contains more and more redundancy. That means there are very similar spectra with the same concentration range. So which spectra can be removed to make the calibration better? You maybe never ask this because often you hear, that the more spectra you put into a model the better it will be. Why to remove some spectra?
  • reduce not needed redundancy
  • makes the calibration smaller and less complex
  • makes the calibration better fit to the current situation of now and the near future
  • remove long past seasonal data if you have natural products because nature is changing
  • and of course bad outliers should be removed

Custom NIR calibrations

Build your own calibrations that perfectly fit to your specific sample matrix of your products and your preferred raw materials from your local suppliers. Nature grows differently depending on the geographical region, by seasons and year by year. As you know that NIR-Spectroscopy is not an absolute method, then you have to think about to calibrate these current changing effects into your models. If you own the spectra and the reference values then your are able to build your own calibration models and re-calibrate them when needed. So you have the full control on Calibration updates (also known as moving models).

Conclusion

A NIR-instrument can only measure NIR spectra. So the usefulness of NIR comes in with calibrations. That is very important to know when buying such an instrument. For a fast start you can use pre-built calibrations. Good reliably calibrations are offered from third party to quite high prices that level is similar to a cheaper NIR-Instrument! To continue successfully it is highly recommended to develop your own customized calibration (multivariate calibration model) with your own data from your own products, especially with the use of natural resources. Therefore you need knowledge about chemometrics and multivariate analysis (MVA), spectroscopy and the software used to get the calibration optimized. It is worthwhile to create your own calibrations, because you can calibrate product characteristics that are not covered by the proposed pre-calibrations.