Spectroscopy and Chemometrics News Weekly #2, 2020

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 1, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Quality Testing LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 1, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 1, 2020 | NIRS NIR Spettroscopia MachineLearning AI analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio Application analisi qualità QC Analysesystem prediction LINK

Five Mistakes to avoid on Digitalization in NIR-Spectroscopy – that Lab Managers, Executives and CEOs must know! NIRSpectroscopy NIRS Sensors NearInfrared Analyzers DigitalTransformation QualityControl foodtech machinelearning AI datascience LINK

SAFE COST IN MAINTAINING NIR-SPECTROSCOPY METHODS | NIRSpectroscopy NIRS Spectroscopy DigitalTransformation Analysis Lab Laboratory Application Quantitative Analysis Methods Measurements Analytical Parameters Spectrometer Quality Accuracy LINK

Do you develop NIR / NIRS calibrations by yourself? Can you sell it? No? Buy it! Digitalization LabManager LabAutomation CEO Digitalisation Spectroscopy AutoML LowCost lowerCost SaveMoney SaveTime Efficiency Effectivity LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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




Near Infrared

“Study of chemical compound spatial distribution in biodegradable active films using NIR hyperspectral imaging and multivariate curve resolution” LINK

“Advances in Near Infrared Spectroscopy and Related Computational Methods” MDPI Books – Pages: 496 OpenAccess | NIRSpectroscopy NIRS NIR LINK

” Ampliación de una librería espectral de mezclas unifeed analizadas en un instrumento NIRS de laboratorio” LINK

“Applied Sciences, Vol. 9, Pages 5058: Single-Kernel FT-NIR Spectroscopy for Detecting Maturity of Cucumber Seeds Using a Multiclass Hierarchical Classification Strategy” LINK

” Visible-near Infrared (VIS-NIR) Spectroscopy as a Rapid Measurement Tool to Assess the Effect of Tillage on Oil Contaminated Sites” LINK

“Non-invasive measurements of ‘Yunhe’pears by vis-NIRS technology coupled with deviation fusion modeling approach” LINK

“Standard Analytical Methods, Sensory Evaluation, NIRS and Electronic Tongue for Sensing Taste Attributes of Different Melon Varieties.” LINK

“Control of ascorbic acid in fortified powdered soft drinks using near-infrared spectroscopy (NIRS) and multivariate analysis” LINK

“Prediction Model of the Key Components for Lodging Resistance in Rapeseed Stalk Using Near-Infrared Reflectance Spectroscopy (NIRS)” LINK

“NIR spectroscopic determination of urine components in spot urine: preliminary investigation towards optical point-of-care test.” LINK

“O-cresol Concentration Online Measurement Based On Near Infrared Spectroscopy Via Partial Least Square Regression.” LINK

“Authentication of Tokaj Wine (Hungaricum) with the Electronic Tongue and Near Infrared Spectroscopy.” LINK

“Potential of the near-infrared spectroscopy for the discrimination of wood and charcoal of four native Myrtaceae species in southern Brazil” LINK

“Estimating the Carbon Content of Coastal Wetland Vegetation With Visible and Near-Infrared Reflectance Spectroscopy” LINK

“Species-and Moisture-based Sorting of Green Timber Mix with Near Infrared Spectroscopy” LINK

“Potential of Near-Infrared Spectroscopy to Evaluate the Cleaning Performance of Dishwashing Processes” LINK

” Near Infrared Spectroscopic Study of Trioctahedral Chlorites and Its Remote Sensing Application” LINK

” Interactive comment on “Estimation of effective calibration sample size using visible near infrared spectroscopy: deep learning vs machine learning”” LINK




Hyperspectral

“Remote Sensing, Vol. 11, Pages 2731: Eco-Friendly Estimation of Heavy Metal Contents in Grapevine Foliage Using In-Field Hyperspectral Data and Multivariate Analysis” LINK




Spectral Imaging

“Multispectral cross-polarization reflectance measurements suggest high contrast of demineralization on tooth surfaces at wavelengths beyond 1300 nm due to reduced light scattering in sound enamel.” LINK




Chemometrics

“Visible-Near Infrared Spectroscopy and Chemometric Methods for Wood Density Prediction and Origin/Species Identification” Forests LINK

“Comparison of two augmented classical least squares algorithms and PLS for determining nifuroxazide and its genotoxic impurities using UV spectroscopy” LINK

“Why should the pharmaceutical industry claim for the implementation of second-order chemometric models-A critical review.” LINK

“Use of near infrared spectroscopy coupled with chemometrics for fast detection of irradiated dry fermented sausages” LINK

” Hyperspectral analysis for a robust assessment of soil properties using adapted PLSR method” LINK




Equipment

“Toward complete oral cavity cancer resection using a handheld diffuse reflectance spectroscopy probe.” LINK




Process Control

“Combining convolutional neural networks and inline nearinfrared spectroscopy for realtime monitoring of the chromatographic elution process in commercial production of notoginseng total saponins” LINK




Agriculture

“Fast measurement of phosphates and ammonium in fermentation-like media: a feasibility study.” LINK

“Application of Near-Infrared Hyperspectral Imaging with Machine Learning Methods to Identify Geographical Origins of Dry Narrow-Leaved Oleaster (Elaeagnus angustifolia) Fruits” LINK

“Rapid visible-near infrared (Vis-NIR) spectroscopic detection and quantification of unripe banana flour adulteration with wheat flour.” LINK

“Molecules, Vol. 24, Pages 4310: Chemometric Characterization of Strawberries and Blueberries according to Their Phenolic Profile: Combined Effect of Cultivar and Cultivation System” LINK

“Evaluating Soybean Meal Quality Using Near-Infrared Reflectance Spectroscopy” LINK

“Changes in Human Milk Fatty Acid Composition During Lactation: The Ulm SPATZ Health Study” Nutrients LINK




Food & Feed

“Photothermal treatment of port-wine stains using erythrocyte-derived particles doped with indocyanine green: a theoretical study.” LINK




Other

” Breeding and Testing Corn for Reduced Aflatoxin Contamination and Increased Drought Tolerance for Texas” LINK





Spectroscopy and Chemometrics News Weekly #1, 2020

CalibrationModel.com

Five Mistakes to avoid on Digitalization in NIR-Spectroscopy – that Lab Managers, Executives and CEOs must know! NIRSpectroscopy NIRS Sensors NearInfrared Analyzers DigitalTransformation QualityControl foodtech machinelearning AI datascience LINK

SAFE COST IN MAINTAINING NIR-SPECTROSCOPY METHODS | NIRSpectroscopy NIRS Spectroscopy DigitalTransformation Analysis Lab Laboratory Application Quantitative Analysis Methods Measurements Analytical Parameters Spectrometer Quality Accuracy LINK

Do you develop NIR / NIRS calibrations by yourself? Can you sell it? No? Buy it! Digitalization LabManager LabAutomation CEO Digitalisation Spectroscopy AutoML LowCost lowerCost SaveMoney SaveTime Efficiency Effectivity LINK

5 Fehler, die es bei der Digitalisierung in der NIR-Spektroskopie zu vermeiden gilt – das müssen Labormanager, Führungskräfte und CEOs wissen! NIRSpectroscopy NIRS Sensor NearInfrared Analyzers DigitalTransformation foodtech machinelearning LINK

Spectroscopy & Chemometrics News Weekly 52, 2019 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Food Analysis Lab Labs Laboratories Laboratory Software IoT Sensors QA QC Testing Quality Check LINK

Spectroscopy & Chemometrics News Weekly 51, 2019 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory AI Software IoT Sensors QA QC Testing Quality LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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



Near Infrared

“Estimation and classification of popping expansion capacity in popcorn breeding programs using NIR spectroscopy” LINK

“Simultaneous detection of quality and safety in spinach plants using a new generation of NIRS sensors” LINK

“Identification of Genuine and Adulterated Pinellia ternata by Mid-Infrared (MIR) and Near-Infrared (NIR) Spectroscopy with Partial Least Squares – Discriminant …” LINK

“Monitoring coffee roasting cracks and predicting with in situ near-infrared spectroscopy” LINK

“Assessment of a soil fertility index using visible and near-infrared spectroscopy in the rice paddy region of southern China” LINK

“Conversion of the Felixton Mill laboratory from conventional to NIRS analysis.” LINK

“Automatic cancer discrimination based on near-infrared spectrum and class-modeling technique” LINK

“Food powders classification using handheld Near-Infrared Spectroscopy and Support Vector Machine” LINK

“Development and validation of a method for separation of pregabalin and gabapentin capsules using Near Infrared hyperspectral imaging” LINK

“Field-resolved infrared spectroscopy of biological systems” Nature LINK

“Infrared spectroscopy finally sees the light” nature LINK

“Journal Highlight: Estimation of protein and fatty acid composition in shellintact cottonseed by near Infrared reflectance spectroscopy” LINK

” Visible/near-infrared Spectroscopy as a Novel Technology for Nondestructive Detection of Escherichia coli ATCC 8739 in Lettuce Samples” LINK

“The model updating based on near infrared spectroscopy for the sex identification of silkworm pupae from different varieties by a semi-supervised learning with pre …” LINK

“… Study on the Determination of ppm-Level Concentration of Histamine in Tuna Fish Using a Dry Extract System for Infrared Coupled with Near-Infrared Spectroscopy” LINK




Raman

“Transmission Raman Spectroscopic Quantification of Active Pharmaceutical Ingredient in Coated Tablets of Hot-Melt Extruded Amorphous Solid Dispersion” LINK




Hyperspectral

“Plastic waste monitoring and recycling by hyperspectral imaging technology” LINK

“Comparison of Ink Classification Capabilities of Classic Hyperspectral Similarity Features” LINK




Chemometrics

“DEVELOPING NEAR INFRARED SPECTROSCOPIC MODELS FOR PREDICTING DENSITY OF Eucalyptus WOOD BASED ON INDIRECT MEASUREMENT” LINK

“Development of Partial Least Square (PLS) Prediction Model to Measure the Ripeness of Oil Palm Fresh Fruit Bunch (FFB) by Using NIR Spectroscopy” LINK




Facts

“Bombs and cocaine: detecting nefarious nitrogen sources using remote sensing and machine learning” LINK




Agriculture

“Laboratory-based hyperspectral image analysis for the classification of soil texture” LINK

“Research on simultaneous detection of SSC and FI of blueberry based on hyperspectral imaging combined MS-SPA” LINK

“Polymers, Vol. 12, Pages 78: Insight into the Intermolecular Interaction and Free Radical Polymerizability of Methacrylates in Supercritical Carbon Dioxide” LINK

“Optimizing the procedure of grain nutrient predictions in barley via hyperspectral imaging.” LINK




Other

“绿泥石矿物近红外光谱吸收谱带的位移机理与控制机制研究” LINK

“Spektroskopie – Unverwechselbarer molekularer Fingerabdruck” LINK





Five Mistakes to avoid on Digitalization in NIR-Spectroscopy – that Lab Managers, Executives and CEOs must know!

The fast and non-destructive NIR-Spectroscopy analysis method is based on predictive models that are built upon spectral and Lab reference data.

Developing such models with Chemometric techniques or Machine Learning Algorithms can now be fully automatized with many advantages.

If your company uses NIR-Spectroscopy, do you know if your company yet tried this calibration service? And if not, why not?

Here are some possible reasons why such services are blocked in your company.

With the knowledge where and why it may be blocked, you are able to overcome the barriers and go for innovation.

Misbeliefs of People that may block Advanced Services (AI and Automatic Machine Learning)


5 Mistakes to avoid on Digitalization in NIR-Spectroscopy
Misbeliefs People Remove barriers
1 You need to program or scripting with data modeling tools (R, Phyton, TensorFlow, Matlab, sas, SPSS, H2O, scikit, …..) The opinion that only PhD (statisticians, data scientists) are smart enough to create models. Give the service a try, and compare! There are free trials for calibration development.
2 We have done it always manually by hand. We must see the plots and interpret the stats in every step.
Job protectionism : “My job will dramatically change if that will work, so I will never prepare real-life data to give someone a possibility to try such a service.”
AI / ML haters (NIR-Specialists, NIR-Experts) don’t belive in automated calibration. Give the service a try, and compare! You will see plots and stats! There are free trials for calibration development.
3 Against any new hardware, software or service because of supposed new problems. Preserving ones – the permission gate keepers (IT) Give it a try, without an account, download the free NIR-Predictor software (full version, no limitations) with included demo data, it installs and runs without Administrator priviledge!
4 Ensures that new methodologies follow the rules. Any new thing will give extra work for them. Compliance and Regulation officers. Get access to the detailed model blueprint (ISO 12099) – there is no vendor lock-in or black-box model. You can even anonymize your data for Knowledge Protection – see JCAMP-Anonymizer.
5 Our employees are open for new things. Our employees do not block. Managers, executives, board level. Remove the Barriers to Innovation!


Start Calibrate

Spectroscopy and Chemometrics News Weekly #49, 2019

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 48, 2019 | NIRS NIR Spectroscopy machinelearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Check LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 48 2019 | NIRS NIR Spektroskopie MachineLearning Spektrometer SmartSensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 48, 2019 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem datascience prediction LINK



This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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


Near Infrared (NIR)

“Development of near infrared reflectance spectroscopy (NIRS) calibration model to estimate the forage quality of shrub species” LINK

“Estimation and classification of popping expansion capacity in popcorn breeding programs using NIR spectroscopy” LINK

“Authentication of liquid egg composition using ATR-FTIR and NIR spectroscopy in combination with PCA” LINK

“Non-Destructive Method for Predicting Sapodilla Fruit Quality Using Near Infrared Spectroscopy” LINK

“Discrimination of white teas produced from fresh leaves with different maturity by near-infrared spectroscopy” LINK

“AI and InfraRed Spectroscopy to Accelerate Malaria Control” LINK

“Near infrared spectroscopic data for rapid and simultaneous prediction of quality attributes in intact mango fruits.” LINK

“Reflectance Properties of Brown Mass Dyed Poly (ethylene terephthalate) Filament Yarns in the Visible-near Infrared Region” LINK

” The contribution of Visible Near Infrared Reflectance spectroscopy to colour determination: the case of the experimental ceramic briquettes” | Mineralogy, Petrology, Economic GeologyLINK

“Non-destructive measurement of soluble solids content of three melon cultivars using portable visible/near infrared spectroscopy” LINK

” Predicting plant available phosphorus using infrared spectroscopy with consideration for future mobile sensing applications in precision farming” LINK

“Molecules, Vol. 24, Pages 3900: Antioxidant Activity of Blueberry (Vaccinium spp.) Cultivar Leaves: Differences Across the Vegetative Stage and the Application of Near Infrared Spectroscopy” LINK




Hyperspectral

“A novel hyperspectral line-scan imaging method for whole surfaces of round shaped agricultural products” LINK

“Setting up a methodology to distinguish between green oranges and leaves using hyperspectral imaging” LINK

“Early detection of tomato spotted wilt virus infection in tobacco using the hyperspectral imaging technique and machine learning algorithms” LINK

“The Future of Hyperspectral Imaging” LINK

“Soil fertility status assessment using hyperspectral remote sensing” LINK




Chemometrics / Machine Learning

“Authentication of PGI Gragnano Pasta by Near Infrared (NIR) spectroscopy and chemometrics” LINK

” Prediction of Salt in Soil by PLS Regression Using Hyperspectral Laboratory Data” LINK

“Measurement of quality parameters of sugar beet juices using near-infrared spectroscopy and chemometrics” LINK

“Classification of oolong tea varieties based on hyperspectral imaging technology and BOSS-LightGBM model” LINK

“Analytical and sensory data correlation to understand consumers’ grape preference” LINK




Process Control

” A review on mechanisms, screening and engineering for pest resistance in sugarcane (Saccharum spp)” LINK




Environment

“Visible and Near-Infrared Reflectance Spectroscopy Analysis of Soils” LINK

“Spektroradyometre teknigi ile toprak özelliklerinin belirlenmesi; Harran Ovasi cullap sulama birligi alani örnegi/Determination of soil properties using …” LINK




Agriculture

” Assessing plant performance in the Enviratron” LINK

“Broad near infrared spectroscopy calibrations can predict the nutritional value of over one hundred forage species within the Australian feedbase” LINK




Other

“The study of combustion characteristics of corn stalks and cobs via TGA-DTG-DSC analysis” LINK

” Gravimetric and Spectrophotometric Determination of Surface Wax Content in Maize Kernels” LINK

“Detection of Multi-frozen and Single-frozen Fish Using Optical Spectroscopy” LINK





Spectroscopy and Chemometrics News Weekly #48, 2019

CalibrationModel.com

“Cost comparison of DataScience, MachineLearning and Chemometrics for NIR – Spectroscopy” | NIRS analytical laboratory Lab method development SmartSensor spectrometer LabTech LabManager Analytical_Chemistry QC_QA FoodLab FoodQuality LINK

Aautomated machine learning | enables this Lab workflow with ease ��Sample -> ��measured with a NIRS spectrometer -> ��spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> �� quality decision -> �� LINK

Increase Your Profit with optimized NIR Accuracy QAQC Food Feed Lab Milling Mills corn grain soybean LINK

Spectroscopy and Chemometrics News Weekly 47, 2019 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 47, 2019 | NIRS NIR Spektroskopie MachineLearning Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 47, 2019 | NIRS NIR Spettroscopia Chemiometria ML analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – NIR-spectrometers. Check out their product page … link

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




Chemometrics

“Analytical and sensory data correlation to understand consumers’ grape preference” LINK

“Detection and classification of Lepeophterius salmonis (Krøyer, 1837) using Underwater Hyperspectral Imaging” LINK

“Detection and differentiation between potato (Solanum tuberosum) diseases using calibration models trained with non-imaging spectrometry data” LINK

“Model Selection in Regression – A chronological review of the major model selection methods” LINK

“Chemometric Authentication of Brazilian Coffees Based on Chemical Profiling” LINK




Near Infrared

” DEVELOPMENT AND OPTIMIZATION OF AN AUTOMATIC SYSTEM TO DETERMINE THE MOISTURE CONTENT IN SINGLE-KERNEL ROUGH RICE USING VISIBLE/NIR SPECTROSCOPY” LINK

“A combination of near infrared and mid-infrared spectroscopy to improve the determination efficiency of active components in Radix Astragali” LINK

“Measurement of quality parameters of sugar beet juices using near-infrared spectroscopy and chemometrics” LINK

“Classification of oolong tea varieties based on hyperspectral imaging technology and BOSS-LightGBM model” LINK

“Non-Destructive Method for Predicting Sapodilla Fruit Quality Using Near Infrared Spectroscopy” LINK

” Predicting plant available phosphorus using infrared spectroscopy with consideration for future mobile sensing applications in precision farming” LINK

“Authentication of liquid egg composition using ATR-FTIR and NIR spectroscopy in combination with PCA.” LINK

“Multi-block classification of Italian semolina based on Near Infrared Spectroscopy (NIR) analysis and alveographic indices” LINK

“Online Prediction of Physico-Chemical Quality Attributes of Beef Using VisibleNear-Infrared Spectroscopy and Chemometrics” foods LINK

“Bamboo activated carbon adsorption and near infrared spectroscopy prediction of heavy metal in soil” LINK






Infrared

“Antioxidant Activity of Blueberry (Vaccinium spp.) Cultivar Leaves: Differences Across the Vegetative Stage and the Application of Near Infrared Spectroscopy” LINK

“Near-infrared spectroscopy as a rapid tool for water content analysis in the partial oxidation of ethanol” LINK




Raman

“Use of terahertz-Raman spectroscopy to determine solubility of the crystalline active pharmaceutical ingredient in polymeric matrices during hot melt extrusion” LINK




Hyperspectral

“Soil fertility status assessment using hyperspectral remote sensing” LINK

” Prediction of Salt in Soil by PLS Regression Using Hyperspectral Laboratory Data” LINK

“Detection of moisture content in peanut kernels using hyperspectral imaging technology coupled with chemometrics” LINK




Agriculture

“Development of a predictive tool for rapid assessment of soil total nitrogen in wheat-corn double cropping system with hyperspectral data” LINK




Food & Feed

“Multi-target prediction of wheat flour quality parameters with near infrared spectroscopy” LINK




Laboratory

“Cost & Price comparison of DataScience, MachineLearning and Chemometrics for NIR – Spectroscopy” NIRS analytical laboratory Lab method development SmartSensor spectrometer LabTech LabManager Analytical_Chemistry QC_QA FoodLab FoodQuality LINK

“Spatial Distortion Assessments of a Low-Cost Laboratory and Field Hyperspectral Imaging System” LINK




Other

” Gravimetric and Spectrophotometric Determination of Surface Wax Content in Maize Kernels” LINK

“Detection of Multi-frozen and Single-frozen Fish Using Optical Spectroscopy” LINK





.

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

CalibrationModel.com (CM) versus Others

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

CM fix € pricing Others € Price Range (approx.)
Software
included
Chemometric Package not‑needed
3500 – 6500 per user
Chemometric Predictor
free‑software
1500 – 2500 per NIR device
Knowledge
included
Chemometric Training not‑needed
1500 – 2500 per user
Chemometrician* Salary not‑needed
1 years Salary / year
(+ risk of Employee Turnover)
Computation
included
Powerful Computer (many Processors, lot of RAM for big data) not‑needed
1500 – 4500 per computer
Development and Usage
fix price
Development of a Calibration
299
80 – 150 / hour
of Chemometrician* using a Chemometric Software (click and wait) and applying it’s knowledge
Usage of a Calibration
299 / year
Total 598 in first year
299 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

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

Spectroscopy and Chemometrics News Weekly #45, 2019

CalibrationModel.com

Aautomated machine learning enables this NIRS Lab workflow with ease : Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Increase Your Profit with optimized NIR Accuracy QAQC Food Feed Lab Milling Mills corn grain soybean LINK

NIR User? Get better results faster | Food Science QC Lab Laboratory Manager chemist LabWork Chemie analytik LINK

Reduce Cost of Ownership of NIRS Analycer by using CalibrationModel Services nirs Chemistry LINK

Spectroscopy and Chemometrics News Weekly 44, 2019 | NIRS NIR Spectroscopy Chemometrics Spectrometer Spectrometric Analytical Chemistry Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality Checking LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 44, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer NIRSensor Nahinfrarot NIRAnalytik NIRdevice LabEquipment Nahinfrarotspektroskopie Laboranalyse NIRlabor LINK

Spettroscopia e Chemiometria Weekly News 44, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction models LINK

This week’s NIR news Weekly is sponsored by Your-Company-Name-Here – cost-effective-NIR-instruments. Check out their spectrometer product page … link

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




Chemometrics

“MicroNIR/Chemometrics: a new analytical platform for fast and accurate detection of ?9-Tetrahydrocannabinol (THC) in oral fluids” LINK

“Supervised classification methods in hyperspectral imaging-recent advances” LINK

MachineLearning Summarized in One Picture by | Read more here: ML Classification Regression Clustering NeuralNetworks … LINK




Near Infrared

“Sorting post-consumer polymer on conveyor belt using NIR spectroscopy” LINK

” 近红外光谱技术在骨科疾病研究中的应用 Application of the NIR Spectroscopy in the Researches of Orthopedics Diseases” LINK

” Case Study of Ft-Nir Spectroscopy Age Estimation for Bering Sea Pacific Cod Stocks” LINK

“Proceedings of the research workshop on the rapid estimation of fish age using Fourier Transform Near Infrared Spectroscopy (FT-NIRS)” LINK




Infrared

“Identification of patients and plaques vulnerable to future coronary events with near-infrared spectroscopy intravascular ultrasound imaging: a prospective, cohort study” LINK

“Efficacy of PCSK-9 Inhibitors on Coronary Lipid Rich Plaque Assessed by Serial Near-Infrared Spectroscopy” LINK

“Analysis Technology of Residual Solvent of Printed Inkjet Ink with Near-Infrared Spectroscopy” LINK




Raman

In two weeks’ time I will be visiting the UK to talk about Raman spectroscopy on Mars! If you’re at Imperial, UCL or Oxford, come and learn about how we’re going to use Raman to search for biosignatures on another world! LINK




Hyperspectral

“Hyperspectral imaging as a part of pharmaceutical product design” LINK

“Analysis of chromophores in stained-glass windows using Visible Hyperspectral Imaging in-situ” LINK

” REAL-TIME CORRECTIONS FOR A LOW-COST HYPERSPECTRAL INSTRUMENT” LINK

“Hyperspectral imaging in medical applications” LINK

“An overview of regression methods in hyperspectral and multispectral imaging” LINK




Equipment

Good reminder that it’s easy to over-index on the “startup-industrial complex” and ignore the radical transformation software enables in old-line industries like, say, meat-packing equipment manufacturing. LINK




Environment

“Spectral Analysis of Estuarine Water for Characterisation of Inherent Optical Properties and Phytoplankton Concentration” LINK




Agriculture

“Qualitative and quantitative diagnosis of nitrogen nutrition of tea plants under field condition using hyperspectral imaging coupled with chemometrics” LINK

“Quantitative Analysis of Soil Total Nitrogen Using Hyperspectral Imaging Technology with Extreme Learning Machine” Sensors LINK

“Detection of adulterants and authenticity discrimination for coarse grain flours using NIR hyperspectral imaging” LINK

“Food and feed production” LINK

“Hyperspectral imaging in crop fields: precision agriculture” LINK

“Classification of saline water for irrigated agriculture using near infrared spectroscopy coupled with pattern recognition techniques” LINK




Other

” Classical and correlative analytical methods for origin identification of Hungarian honeys” LINK

” OpenAI Plays Hide and Seek…and Breaks The Game! ” LINK

“The problem isn’t data protection, it’s data collection.” – NSA Whistleblower has his day on GDPR at WebSummit LINK




Start Calibrate – NIR Quick Guide

Quick Start NIR Workflow: step by step

1. Check if your NIR-Device Data Format is directly supported (anyway you can convert to JCAMP) : NIR-Predictor supported Spectral Data File Formats

2. Download the free NIR-Predictor Software that contains demo data so you can play with it to see if it is the way you want analyse your NIR spectra (no registration needed) : NIR-Predictor Download

3. With your “NIR device” measurement software:

  • measure samples with NIR, that gets you spectra files,
  • label them with a proper sample name, so you know which is which,
  • and determine quantitative reference values by Laboratory reference method.
  • at least 60 samples with different contents is needed for a minimal calibration.
  • NIR-Predictor helps to create a template file (.csv) to enter the Lab values.

4. Creating your own Calibrations with NIR-Predictor to combine your NIR and Lab data for a calibration request : Creating your own Calibrations



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