Spectroscopy and Chemometrics News Weekly #20, 2020

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NIR Calibration-Model Services

Spectroscopy and Chemometrics News Weekly 19, 2020 | 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 19, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 19, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

” RAPID EVALUATION OF DRY WHITE KIDNEY BEANS COOKING CHARACTERISTICS BY NEAR-INFRARED (NIR) SPECTROSCOPY” LINK

“Potential of Vis-NIR spectroscopy for detection of chilling injury in kiwifruit” LINK

“The application of NIR spectroscopy in moisture determining of vegetable seeds” LINK

“Detection and quantification of active pharmaceutical ingredients as adulterants in Garcinia cambogia slimming preparations using NIR spectroscopy combined with …” LINK

“Comparison of the Potential Abilities of Three Spectroscopy Methods: Near-Infrared, Mid-Infrared, and Molecular Fluorescence, to Predict Carotenoid, Vitamin and Fatty Acid Contents in Cow Milk ” LINK




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

” Machine Learning Classification of Articular Cartilage Integrity Using Near Infrared Spectroscopy” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy” LINK

“Non-destructive assessment of moisture content and modulus of rupture of sawn timber Hevea wood using near infrared spectroscopy technique” LINK

“Accurate prediction of glucose concentration and identification of major contributing features from hardly distinguishable near-infrared spectroscopy” LINK

“Determination of in situ ruminal degradation of phytate phosphorus from single and compound feeds in dairy cows using chemical analysis and near-infrared spectroscopy” LINK

” RAPID, NONDESTRUCTIVE AND SIMULTANEOUS PREDICTIONS OF SOIL CONTENT IN WULING MOUNTAIN AREA USING NEAR INFRARED …” LINK

” Multiblock PLS-DA on fecal and plasma visible-near-infrared spectra for discriminating young bulls according to their efficiency. Preliminary results” LINK

“Developing deep learning based regression approaches for determination of chemical compositions in dry black goji berries (Lycium ruthenicum Murr.) using near-infrared hyperspectral …” LINK

“Near-infrared wavelength-selection method based on joint mutual information and weighted bootstrap sampling” LINK

“Rapid and simultaneous analysis of direct and indirect bilirubin indicators in serum through reagent-free visible-near-infrared spectroscopy combined with …” LINK

“Sensors, Vol. 20, Pages 1472: Fusion of Mid-Wave Infrared and Long-Wave Infrared Reflectance Spectra for Quantitative Analysis of Minerals” LINK

“Near-infrared spectroscopy as a quantitative spasticity assessment tool: A systematic review.” LINK




Raman Spectroscopy

“Surfaceenhanced Raman spectroscopy for onsite analysis: A review of recent developments” LINK




Hyperspectral Imaging (HSI)

“Comparative Study on Hyperspectral and Satellite Image for the Estimation of Chlorophyll a Concentration on Coastal Areas” LINK

“Performance of Fluorescence and Diffuse Reflectance Hyperspectral Imaging for Characterization of Lutefisk: A Traditional Norwegian Fish Dish” LINK

“Dual-camera design for hyperspectral and panchromatic imaging, using a wedge shaped liquid crystal as a spectral multiplexer” LINK




Spectral Imaging

“Functional Imaging of the Ocular Fundus Using an 8-Band Retinal Multispectral Imaging System” LINK

“Multispectral imaging for predicting the water status in mushroom during hotair dehydration” LINK




Chemometrics and Machine Learning

“Development of spectral signatures and classification using hyperspectral face recognition” LINK

The Google Cloud Developer’s Cheat Sheet. BigData Analytics DataScience AI MachineLearning CyberSecurity IoT IIoT Python RStats TensorFlow Java JavaScript ReactJS CloudComputing Serverless Linux Programming Coding 100DaysofCode LINK

“Vibrational spectroscopy and chemometrics for quantifying key bioactive components of various plum cultivars grown in New Zealand” LINK

“ATR-MIR spectroscopy to predict commercial milk major components: A comparison between a handheld and a benchtop instrument” LINK

“Chemometrics as a Green Analytical Tool” LINK




Facts

“Systematic review of deep learning techniques in plant disease detection” LINK

“Machine learning estimators for the quantity and quality of grass swards used for silage production using drone-based imaging spectrometry and photogrammetry” LINK




Environment NIR-Spectroscopy Application

“Remote Sensing, Vol. 12, Pages 931: Optical Water Type Guided Approach to Estimate Optical Water Quality Parameters” LINK

“Estimation of total nitrogen and organic carbon contents in mine soils with NIR reflectance spectroscopy and various chemometric methods” LINK

“Improved mapping of soil heavy metals using a Vis-NIR spectroscopy index in an agricultural area of eastern China” LINK




Agriculture NIR-Spectroscopy Usage

“Remote Sensing, Vol. 12, Pages 940: Editorial for the Special Issue Estimation of Crop Phenotyping Traits using Unmanned Ground Vehicle and Unmanned Aerial Vehicle Imagery”” LINK

“Predicting grain protein content of field-grown winter wheat with satellite images and partial least square algorithm.” LINK

“The development of models to predict the nutritional value of feedstuffs and feed mixture using NIRS” LINK

“Permafrost soil complexity evaluated by laboratory imaging Vis‐NIR spectroscopy” LINK

“Agriculture, Vol. 10, Pages 164: Chemical Variation and Implications on Repellency Activity of Tephrosia vogelii (Hook f.) Essential Oils Against Sitophilus zeamais Motschulsky” LINK

“The Use of Multi-temporal Spectral Information to Improve the Classification of Agricultural Crops in Landscapes” LINK




Horticulture NIR-Spectroscopy Applications

“Recent advances in imaging techniques for bruise detection in fruits and vegetables” LINK




Food & Feed Industry NIR Usage

“Beef Nutritional Quality Testing and Food Packaging” LINK

“Foods, Vol. 9, Pages 619: Evaluation of the Physicochemical and Sensory Characteristics of Different Fig Cultivars for the Fresh Fruit Market” LINK




Laboratory and NIR-Spectroscopy

“Laboratory-Scale Preparation and Characterization of Dried Extract of Muirapuama (Ptychopetalumolacoides Benth) by Green Analytical Techniques” LINK




Other

“Sony releases industrial SWIR sensors with 5m pixels” LINK





Spectroscopy and Chemometrics News Weekly #19, 2020

NIR Calibration-Model Services

“Simultaneously multi quantitative value determination from a bunch of NIR spectra by drag and drop of multiple spectral files.” | NIRS Spectroscopy – Image is Preview of V2.6 LINK

Calibration Model’s free NIR-Predictor V2.5 Software Update is available today | Download here | NIRS NIR Spectroscopy Sensor Application Chemometric Prediction Report QualityControl Lab Laboratory Analysis Production LINK

Spectroscopy and Chemometrics News Weekly 18, 2020 | 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 18, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 18, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK

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




Near-Infrared Spectroscopy (NIRS)

“Estimation of Harumanis (Mangifera indica L.) Sweetness using Near-Infrared (NIR) Spectroscopy” LINK

“Near-Infrared (NIR) Spectroscopy to Differentiate Longissimus thoracis et lumborum (LTL) Muscles of Game Species” LINK

“Fault detection with moving window PCA using NIRS spectra for the monitoring of anaerobic digestion process” LINK

“New applications of visnir spectroscopy for the prediction of soil properties” LINK

“Simultaneous determination of quality parameters in yerba mate (Ilex paraguariensis) samples by application of near-infrared (NIR) spectroscopy and partial least …” LINK

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




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

“Determination of nutritional parameters of bee pollen by Raman and infrared spectroscopy.” LINK

“Rapid quantitative detection of mineral oil contamination in vegetable oil by near-infrared spectroscopy” LINK

“Scientists demonstrate the ability of infrared ion spectroscopy to identify and distinguish the molecular structure of three isomers of fluoroamphetamine and two ring-isomers of both MDA and MDMA.” LINK

“Application of near-infrared hyperspectral imaging to identify a variety of silage maize seeds and common maize seeds” LINK

“Protein, weight, and oil prediction by single-seed near-infrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum).” phenotyping LINK

“Investigating the Quality of Antimalarial Generic Medicines Using Portable Near-Infrared Spectroscopy” LINK

“THE DETERMINATION OF FATTY ACIDS IN CHEESES OF VARIABLE COMPOSITION (COW, EWE’S, AND GOAT) BY MEANS OF NEAR INFRARED SPECTROSCOPY” LINK

“Modeling bending strength of oil-heat-treated wood by near-infrared spectroscopy” LINK

“Non-Invasive Blood Glucose Monitoring using Near-Infrared Spectroscopy based on Internet of Things using Machine Learning” LINK

“Protein, weight, and oil prediction by singleseed nearinfrared spectroscopy for selection of seed quality and yield traits in pea (Pisum sativum)” LINK

“Estimating δ15N and δ13C in Barley and Pea Mixtures Using Near-Infrared Spectroscopy with Genetic Algorithm Based Partial Least Squares Regression” LINK

“ripening stages monitoring of Lamuyo pepper using a new‐generation near‐infrared spectroscopy sensor” LINK

“Performance Improvement of Near-Infrared Spectroscopy-Based Brain-Computer Interface Using Regularized Linear Discriminant Analysis Ensemble Classifier Based on Bootstrap Aggregating.” LINK

“Continuously measurement of the dry matter content using near-infrared spectroscopy” LINK

“Rapid identification of Lilium species and polysaccharide contents based on near infrared spectroscopy and weighted partial least square method.” LINK

“A Rapid and Nondestructive Approach for the Classification of Different-Age Citri Reticulatae Pericarpium Using Portable Near Infrared Spectroscopy.” LINK




Raman Spectroscopy

“Quantitative models for detecting the presence of lead in turmeric using Raman spectroscopy” LINK

“Diagnosis of Citrus Greening using Raman Spectroscopy-Based Pattern Recognition” LINK




Hyperspectral Imaging (HSI)

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging.” LINK

“Diagnosis of Late Blight of Potato Leaves Based on Deep Learning Hyperspectral Images” LINK

“Applied Sciences, Vol. 10, Pages 2259: Hyperspectral Inversion Model of Chlorophyll Content in Peanut Leaves” LINK

“Rapid detection of quality index of postharvest fresh tea leaves using hyperspectral imaging” LINK

“Non-Destructive Detection of Tea Leaf Chlorophyll Content Using Hyperspectral Reflectance and Machine Learning Algorithms” LINK

“A deep learning based regression method on hyperspectral data for rapid prediction of cadmium residue in lettuce leaves” LINK

“Deep learning applied to hyperspectral endoscopy for online spectral classification” DOI:10.1038/s41598-020-60574-6 LINK

“Detection of fish fillet substitution and mislabeling using multimode hyperspectral imaging techniques” LINK




Chemometrics and Machine Learning

“Incorporation of two-dimensional correlation analysis into discriminant analysis as a potential tool for improving discrimination accuracy: Near-infrared spectroscopic discrimination of adulterated olive oils.” LINK

“Building kinetic models for apple crispness to determine the optimal freshness preservation time during shelf life based on spectroscopy” LINK

“Molecules, Vol. 25, Pages 1453: Characterization, Quantification and Quality Assessment of Avocado (Persea americana Mill.) Oils” LINK

“Comparison of CNN Algorithms on Hyperspectral Image Classification in Agricultural Lands” LINK




Research on Spectroscopy

“Automatisierte und digitale Dokumentation der Applikation organischer Düngemittel” LINK

“Plenary Lecture Methods and Tools for Sensors Information Processing” LINK




Equipment for Spectroscopy

“Monitoring wine fermentation deviations using an ATR-MIR spectrometer and MSPC charts” LINK

“Determination of soluble solids content in Prunus avium by Vis/NIR equipment using linear and non-linear regression methods” LINK

“Characterization of Deep Green Infection in Tobacco Leaves Using a Hand-Held Digital Light Projection Based Near-Infrared Spectrometer and an Extreme Learning …” LINK




Agriculture NIR-Spectroscopy Usage

“Portable IoT NIR Spectrometer for Detecting Undesirable Substances in Forages of Dairy Farms” LINK

“Hyperspectral imaging using multivariate analysis for simulation and prediction of agricultural crops in Ningxia, China” LINK

“Robustness of visible/near and midinfrared spectroscopic models to changes in the quantity and quality of crop residues in soil” LINK




Horticulture NIR-Spectroscopy Applications

” The Effect of Spent Mushroom Substrate and Cow Slurry on Sugar Content and Digestibility of Alfalfa Grass Mixtures” LINK




Food & Feed Industry NIR Usage

“Quantification of Ash and Moisture in Wheat Flour by Raman Spectroscopy” LINK




Laboratory and NIR-Spectroscopy

“The influence analysis of reflectance anisotropy of canopy on the prediction accuracy of Cu stress based on laboratory multi-directional measurement” LINK





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Spectroscopy and Chemometrics News Weekly #16, 2020

NIR Calibration-Model Services

Feed your favorite spectral Food Scanner sensor with customized specialized analysis models by downloading the free NIR-Predictor software. Collect Laboratory data and build your calibrations! | spectroscopy analyzer food dairy quality IoT LINK

Ho to improve your Near Infra Red (NIR) Analyzer Precision Accuracy Performance | nearIR Lab NIRS Light LINK

How to improve your NIRS analysis, get the free White Paper | infrared QAQC foodquality ingredients constituents LINK

Improve Accuracy of fast Nondestructive NIRS Measurements by Optimal Calibration | Feed Lab prediction Sensor LINK

Increase Your Profit with optimized NIR Accuracy Chocolate Bakery Tea Meat LINK

Spectroscopy and Chemometrics News Weekly 15, 2020 | 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 15, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 15, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem IoT Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem QualityControl LINK




Near-Infrared Spectroscopy (NIRS)

“Authentication of Iberian pork official quality categories using a portable near infrared spectroscopy (NIRS) instrument” meat pig LINK

“NIR SPECTROSCOPY METHOD FOR FATTY ACID CONTENT OF OILSEEDS” LINK

“Proximate composition determination in goat cheese whey by near infrared spectroscopy (NIRS).” LINK

“Soil Organic Carbon Prediction by Vis-NIR Spectroscopy: Case Study the Kur-Aras Plain, Azerbaijan” LINK

“Near infrared spectroscopy (NIRS) data analysis for a rapid and simultaneous prediction of feed nutritive parameters.” LINK




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

“Identification of human brown/beige adipose tissue using near-infrared time-resolved spectroscopy” LINK

“Visible near infrared reflectance molecular chemical imaging of human ex vivo carcinomas and murine in vivo carcinomas” LINK

“Data analysis on near infrared spectroscopy as a part of technology adoption for cocoa farmer in Aceh Province, Indonesia.” LINK

“Sensor Development for Soil-Property Detection Using Near Infrared Spectroscopy” LINK

“Classifying maize kernels naturally infected by fungi using near-infrared hyperspectral imaging” LINK

“Estimating Soil Arsenic Content with Visible and Near-Infrared Hyperspectral Reflectance” LINK




Hyperspectral Imaging (HSI)

“Novel Deep-Learning-Based Spatial-Spectral Feature Extraction For Hyperspectral Remote Sensing Applications” LINK

“Estimation of grapevine predawn leaf water potential based on hyperspectral reflectance data in Douro wine region” LINK




Chemometrics and Machine Learning

“Classification Modeling Method for Near-Infrared Spectroscopy of Tobacco Based on Multimodal Convolution Neural Networks.” LINK

“Analysis of the Influence of Substrate Formulations on the Bioactive Chemical Profile of Lingzhi or Reishi Medicinal Mushroom, Ganoderma lucidum (Agaricomycetes) by Conventional and Chemometrics Methods.” LINK

“Use of precision farming practices and crop modelling for enhancing water and phosphorus efficiency” LINK

“A chemometric strategy to evaluate the comparability of PLS models obtained from quartz cuvettes and disposable glass vials in the determination of extra virgin olive …” LINK




Research on Spectroscopy

Classical Least Squares Method for Quantitative Spectral Analysis with Python LINK

“Method for Quantitative Broadband Diffuse Optical Spectroscopy of Tumor-Like Inclusions” LINK




Process Control and NIR Sensors

“Monitoring composting process of olive oil solid waste using FT-NIR spectroscopy” LINK

“Monitoring of CO2 Absorption Solvent in Natural Gas Process Using Fourier Transform Near-Infrared Spectrometry.” LINK




Agriculture NIR-Spectroscopy Usage

“Development of sugarcane and trash identification system in sugar production using hyperspectral imaging” LINK

“Smart Agriculture: The Age of Drones in Agriculture” LINK

“Estimation of Crop Growth Parameters Using UAV-Based Hyperspectral Remote Sensing Data” LINK

“Hyperspectral imaging in assessing the condition of plants: strengths and weaknesses” LINK

“Detection and identification of fungal growth on freeze-dried Agaricus bisporus using spectrum and olfactory sensor.” LINK

“Effect of strain and nutritional density of the diet on the water-protein ratio, fat and collagen levels in the breast and legs of broilers slaughtered at different …” LINK

“Detecting Bruise Damage and Level of Severity IN APPLES USING A CONTACTLESS NIR SPECTROMETER” LINK

“Estimation of the Yield and Plant Height of Winter Wheat Using UAV-Based Hyperspectral Images” LINK

“Non-destructive estimation of winter wheat leaf moisture content using near-ground hyperspectral imaging technology” LINK




Food & Feed and Beverage Industry NIR Usage

“Chemometric tools for food fraud detection: the role of target class in non-targeted analysis” LINK

“Utilization of text mining as a big data analysis tool for food science and nutrition” 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
Development of a Calibration
€128
€80 – €150 / hour
of Chemometrician* using a Chemometric Software (click and wait) and applying it’s knowledge
Usage of a Calibration
€60 / year
Total €178 in first year
€60 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

See also: pricing

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