Spectroscopy and Chemometrics News Weekly #26, 2020

NIR Calibration-Model Services

Get the new Free NIR-Predictor V2.6 software – Reads and predicts *.spc spectra file format (Thermo-Scientific / Galactic GRAMS) – Spectra Plots on the Prediction Reports NIRS NIR Spectroscopy Spectrometer QualityControl Laboratory Food Analysis LINK

Pro Tip: The NIR calibration is the central key to accurate NIR measurement | NIRS LINK

Spectroscopy and Chemometrics News Weekly 25, 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 25, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 25, 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)

“Study on Detection Methods for Frying Times of Soybean Oil Based on NIRS” LINK

“Non-destructive Detection the Content of Acid Detergent Fiber in Corn Stalk Using NIRS” LINK

“Differentiation of South African Game Meat Using Near-Infrared (NIR) Spectroscopy and Hierarchical Modelling” LINK

“Changes in chemical components with NIR spectroscopy and durability of samama wood treated with boron, methyl methacrylate and heat treatment” LINK

“NIR spectroscopy application for determination caffeine content of Arabica green bean coffee” LINK

“Principle Component Analysis (PCA)-Classification of Arabica green bean coffee of North Sumatera Using FT–NIRS” LINK

“Prediction of water content in Lintong green bean coffee using FT-NIRS and PLS method” LINK




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

“Detection of aflatoxin B1 on corn kernel surfaces using visible-near infrared spectroscopy” LINK

“Soil NPK Levels Characterization Using Near Infrared and Artificial Neural Network” LINK

“Rapid and Non-destructive Detecting Frying Times of Peanut Oil Based on Near Infrared Reflectance Spectroscopy” LINK

“Biosensors, Vol. 10, Pages 41: Rapid Nondestructive Detection of Water Content and Granulation in Postharvest Shatian Pomelo Using Visible/Near-Infrared Spectroscopy” LINK

” Estimation of moisture in wood chips by Near Infrared Spectroscopy” LINK

“Nondestructive determination of lignin content in Korla fragrant pear based on near-infrared spectroscopy” LINK

“Near-infrared spectroscopy of the placenta for monitoring fetal oxygenation during labour.” LINK

“Confirmation of brand identification in infant formulas by near-infrared spectroscopy fingerprints” 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

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




Raman Spectroscopy

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




Hyperspectral Imaging (HSI)

“Germination Prediction of Sugar Beet Seeds Based on HSI and SVM-RBF” LINK

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

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

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




Chemometrics and Machine Learning

“Spectroscopic techniques combined with chemometrics for fast on-site characterization of suspected illegal antimicrobials” LINK

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




Research on Spectroscopy

“Lanthanide complexes with N-(2, 6-dimethylphenyl) oxamate: Synthesis, characterisation and cytotoxicity” LINK




Equipment for Spectroscopy

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




Agriculture NIR-Spectroscopy Usage

“Rapid Measurement of Soybean Seed Viability Using Kernel-Based Multispectral Image Analysis” LINK

“Remote Sensing, Vol. 12, Pages 1256: Crop Separability from Individual and Combined Airborne Imaging Spectroscopy and UAV Multispectral Data” LINK

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




Food & Feed Industry NIR Usage

“Prediction of infertile chicken eggs before hatching by the Naïve-Bayes method combined with visible near infrared transmission spectroscopy” LINK

“Statistical Analysis of Protein Content in Wheat Germplasm Based on Near-infrared Reflectance Spectroscopy” LINK




Other

“On-Site Identification of the Material Composition of PV Modules with Mobile Spectroscopic Devices” LINK





.

NIR Calibration Service explained

Our Service is different

  • We build the optimal quantitative prediction models for your NIR analytical needs (No need for mathematical/statistical model building software usage at your site).
  • The NIR-Predictor software and the calibration models are at your site. No internet connection needed to our service. You can do unlimited predictions, that allows fast measurement cycles with no extra cost (Not payed per prediction).
  • You own your data and the calibrations. You can have access to the detailed Calibration Report with all the settings and statistics (No Black-Box Models).

Get NIR Calibrations

Get NIR Calibrations - Workflow
Your 4 steps to the applicable NIR calibration:
  1. Download free NIR-Predictor here
  2. Combine NIR-Spectra with Lab-Reference values, see Video for 2. and 3. (manual)
  3. Create a Calibration Request and sent it to info@CalibrationModel.com (CM)
  4. After processing you will get a link to the Web Shop to download the calibrations.



Use NIR Calibrations

Use NIR Calibrations Workflow
see more Videos


In other words

Calibration Model simplifies the process of training machine learning models for NIRS data while providing an opportunity to trying different algorithms and applied near-infrared spectroscopy (NIRS) knowledge. It’s more than an AutoML platform, it’s a full service where you can download the optimal model and its describing Calibration Report that provide insights into the data preparation, feature engineering, model training, and hyperparameter tuning.

Start Calibrate

Spectroscopy and Chemometrics News Weekly #3, 2020

Near Infrared (NIR) Spectroscopy

“Fourier-transform near infrared spectroscopy (FT-NIRS) rapidly and non-destructively predicts daily age and growth in otoliths of juvenile red snapper Lutjanus …” LINK

“Desarrollo de Modelos NIRS de Predicción para el Análisis de la Finura de Fibras Textiles de Vicuña y Llama” LINK

“fNIRS-GANs: Data augmentation using generative adversarial networks for classifying motor tasks from functional near-infrared spectroscopy.” LINK

” Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases” LINK

“Penentuan Parameter Mutu Buah Jeruk Siam Garut Secara Nondestruktif Menggunakan Spektroskopi NIR” LINK

“Rapid non-destructive moisture content monitoring using a handheld portable Vis–NIR spectrophotometer during solar drying of mangoes (Mangifera indica L.)” LINK

“VIS-NIR wave spectrometric features of acorns (Quercus robur L.) for machine grading” LINK

“Portable NIR Spectroscopy: Affordable Technology for Developing Countries” LINK

“NIR spectroscopy used for non-destructive evaluation of the chemical composition of the investigated papers in addition to typically used standard methods.” LINK

“Feasibility study on prediction of gasoline octane number using NIR spectroscopy combined with manifold learning and neural network” LINK

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

“Environmental advantages of visible and near infrared spectroscopy for the prediction of intact olive ripeness” LINK

“Rapid screening and quantitative analysis of adulterant Lonicerae Flos in Lonicerae Japonicae Flos by Fourier-transform near infrared spectroscopy” LINK

“Rapid analysis of soluble solid content in navel orange based on visible-near infrared spectroscopy combined with a swarm intelligence optimization method” LINK

“Establishment and relevant analysis of plant’s spectral reflectivity database in visible and near-infrared bands” LINK




Hyperspectral Imaging

“Mineral Mapping of Drill Core Hyperspectral Data with Extreme Learning Machines” LINK

“Deep learning classifiers for hyperspectral imaging: A review” LINK

“Texture and Shape Features for Grass Weed Classification Using Hyperspectral Remote Sensing Images” LINK

“Avoiding Overfitting When Applying Spectral-Spatial Deep Learning Methods on Hyperspectral Images with Limited Labels” LINK

“Estimation Model of Winter Wheat Yield Based on Uav Hyperspectral Data” LINK




Chemometrics and Machine Learning

“Validation of near infrared spectroscopy as an age-prediction method for plastics” LINK

Whoever leads in ArtificialIntelligence in 2030 will rule the world until 2100 | fintech AI MachineLearning DeepLearning robotics LINK

“Chemical Composition of Hexene-Based Linear Low-Density Polyethylene by Infrared Spectroscopy and Chemometrics” LINK

“Establishment of Plot-Yield Prediction Models in Soybean Breeding Programs Using UAV-Based Hyperspectral Remote Sensing” LINK

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

“NIR reflectance spectroscopy and SIMCA for classification of crops flour” LINK




NIR Equipment

“Prediction of meat quality traits in the abattoir using portable and hand-held near-infrared spectrometers” LINK

“A Plug-and-play Hyperspectral Imaging Sensor Using Low-cost Equipment” LINK




NIR in Environment

“The use of hyperspectral remote sensing to detect PCB contaminated soils in the 0.35 to 12 micron spectral range” LINK




NIR in Agriculture

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

“Detection of early decay on citrus using hyperspectral transmittance imaging technology coupled with principal component analysis and improved watershed …” LINK

“Determination of Nutritive Value of Some Feedstuffs Used in Poultry Nutrition by Near Infrared Reflectance Spectroscopy (NIRS) and Chemical Methods” LINK

“근적외선분광법을 이용한 사료용 벼의 사료가치 평가” “Evaluation of Feed Values for Whole Crop Rice Using Near Infrared Reflectance Spectroscopy” LINK

“Classification of crop flours based on protein contents using near infra-red spectroscopy and principle component analysis” LINK

“In-field detection of Alternaria solani in potato crops using hyperspectral imaging” LINK




NIR in Laboratory

“Use of Remote sensing technology to assess grapevine quality” LINK


CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 2, 2020 | NIRS NIR Spectroscopy MachineLearning Spectrometer Spectrometric Analytical AI Application Chemical Analysis Lab Labs Laboratories Laboratory Software Sensors QA QC Testing Quality LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 2, 2020 | NIRS NIR Spektroskopie MachineLearning Spektrometer IoT Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 2, 2020 | NIRS NIR Spettroscopia MachineLearning analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel LINK


Start Calibrate

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.




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

Spectroscopy and Chemometrics News Weekly #37, 2019

CalibrationModel.com

The new Version V2.4 of the free NIR-Predictor supports multiple native file formats of miniature, mobile and desktop spectrometers get your spectra analyzed as easy as Drag’n’Drop. LINK

Spectroscopy and Chemometrics News Weekly 36, 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 36, 2019 | NIRS NIR Spektroskopie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 36, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel LINK




Chemometrics

“Identification of Passion Fruit Oil Adulteration by Chemometric Analysis of FTIR Spectra” LINK

“Investigating the use of visible and near infrared spectroscopy to predict sensory and texture attributes of beef M.longissimus thoracis et lumborum.” LINK

“Optimized prediction of sugar content in ‘Snow’ pear using near-infrared diffuse reflectance spectroscopy combined with chemometrics” LINK

“FT-NIR spectroscopy and multivariate classification strategies for the postharvest quality of green-fleshed kiwifruit varieties” FTNIR LINK

“An Approach to Rapid Determination of Tween-80 for the Quality Control of Traditional Chinese Medicine Injection by Partial Least Squares Regression in Near-Infrared Spectral Modeling” LINK

“Assessing macro-element content in vine leaves and grape berries of vitis vinifera by using near-infrared spectroscopy and chemometrics” LINK

“Investigating the use of visible and near infrared spectroscopy to predict sensory and texture attributes of beef M. longissimus thoracis et lumborum” LINK

“Rapid classification of commercial Cheddar cheeses from different brands using PLSDA, LDA and SPA-LDA models built by hyperspectral data” LINK




Near Infrared

“A Comparison of Sparse Partial Least Squares and Elastic Net in Wavelength Selection on NIR Spectroscopy Data.” LINK

“Reliability of NIRS portable device for measuring intercostal muscles oxygenation during exercise” LINK

“Ability of near-infrared spectroscopy for non-destructive detection of internal insect infestation in fruits: Meta-analysis of spectral ranges and optical measurement modes.” LINK

“Analysis of the Acid Detergent Fibre Content in Turnip Greens and Turnip Tops (Brassica rapa L. Subsp. rapa) by Means of Near-Infrared Reflectance.” LINK

“Lipid-Core Plaque Assessed by Near-Infrared Spectroscopy and Procedure Related Microvascular Injury.” LINK

“Analysis of the Acid Detergent Fibre Content in Turnip Greens and Turnip Tops (Brassica rapa L. Subsp. rapa) by Means of Near-Infrared Reflectance” Foods LINK

“Online monitoring of multiple component parameters during ethanol fermentation by near-infrared spectroscopy.” LINK




Hyperspectral

“Identifying Freshness of Spinach Leaves Stored at Different Temperatures Using Hyperspectral Imaging.” LINK

“Identifying Freshness of Spinach Leaves Stored at Different Temperatures Using Hyperspectral Imaging” Foods LINK




Equipment

“Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceumL.” LINK




Agriculture

“Use of near-infrared spectroscopy for the rapid evaluation of soybean [Glycine max (L.) Merri.] water soluble protein content.” LINK




Food & Feed

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





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Spectroscopy and Chemometrics News Weekly #28, 2019

CalibrationModel.com

Why NIR vendors should use ready-to-use dedicated NIR modeling software solution that works already. LINK

Spectroscopy and Chemometrics News Weekly 27, 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 27, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Messtechnik Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Labor Analyse LINK

Spettroscopia e Chemiometria Weekly News 27, 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 YourCompanyNameHere – BestNIRinstruments. Check out their product page … link

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




Chemometrics

“Prediction of chemical content in patchouli oil (Pogostemon cablin Benth) by portable NIR spectroscopy” LINK

“Carbohydrate Analysis by NIRS-Chemometrics” LINK

“Chemosensors, Vol. 7, Pages 29: The Electronic Nose Coupled with Chemometric Tools for Discriminating the Quality of Black Tea Samples InSitu” LINK

fruit sensor calibration for monitoring fruit development continuously in the orchard see poster at ecpa2019 LINK

New Journal of Spectral Imaging–JSI Paper: Adaptive hierarchical clustering for hyperspectral image classification: Umbrella Clustering | Remotesensing LINK

“Prediction of Dissolution of Sustained Release Coated Ciprofloxacin Beads Using Near-infrared Spectroscopy and Process Parameters: a Data Fusion Approach” LINK




Near Infrared

“The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions” LINK

nIRCat, a near-infrared (1000-1300 nm) probe to image dopamine in the brain LINK

“交通渋滞場面での怒りの接近動機づけ (攻撃性) における加齢の影響: 近赤外線分光法 (NIRS)・心拍出量・唾液中コルチゾールを用いた検討 (ヒューマンコミュニケーション基礎)” LINK

“Desarrollar un modelo de predicción mediante Espectroscopia en Infrarrojo Cercano (NIRS) para la determinación de proteína cruda en subproductos de arroz (Oriza sativa)” LINK

Detection of intracranial hematomas in the emergency department using near infrared spectroscopy LINK

Coating excipients How to Measure Coating Thickness of Tablets: Method Comparison of Optical Coherence Tomography, Near-infrared Spectroscopy and Weight-, Height- and Diameter Gain LINK

“NIRS identification of black textiles: Improvements for waste textiles sorting” LINK

“Near-infrared spectroscopy for determining the oxidation stability of diesel, biodiesel and their mixtures” LINK

“Influence of surface roughness and surface moisture of plastics on sensor-based sorting in the near infrared range.” LINK

“Present and future of portable/handheld near-infrared spectroscopy in chicken meat industry” LINK




Hyperspectral

“Remote Sensing, Vol. 11, Pages 1622: A Lightweight Hyperspectral Image Anomaly Detector for Real-Time Mission” LINK




Spectral Imaging

“Multispectral Imaging for Detection of Adulterants in Turmeric Powder” LINK




Facts

It’s hype nowadays to play with all the fancy shiny new open source releases, but how long will a company let their technicians play with it? LINK




Equipment

“Investigations into the use of handheld near-infrared spectrometer and novel semi-automated data analysis for the determination of protein content in different cultivars of Panicum miliaceum L.” LINK

“Extension of the Measurable Wavelength Range for a Near-Infrared Spectrometer Using a Plasmonic Au Grating on a Si Substrate” LINK




Process Control

“Integrated Robotic Mini Bioreactor Platform for Automated, Parallel Microbial Cultivation With Online Data Handling and Process Control” LINK




Agriculture

“Nutrients, Vol. 11, Pages 1476: Nutritional Properties and Consumers Acceptance of Provitamin A-Biofortified Amahewu Combined with Bambara (Vigna Subterranea) Flour” LINK

“Rapid detection of carbon-nitrogen ratio for anaerobic fermentation feedstocks using near-infrared spectroscopy combined with BiPLS and GSA” LINK




Forestry

“Soil C stocks in the sylvopastoral zone of Senegal as influences by trees” LINK




Medicinal

“Current methods for the assessment of skin microcirculation: Part 1” LINK




Other

“Kayseri Ekolojik Kosullarinda Farkli Ekim Zamanlarinin Nohut (Cicer arietinum L.) Bitkisinde verim, verim unsurlari ve kalite üzerine etkileri” LINK

“Seed composition of different Camelina sativa and Crambe abyssinica cultivars” LINK





NIR Method Development Service for Labs and NIR-Vendors (OEM)


CalibrationModel.com ia a perfect match for
    – NIR Vendors    , selling NIR            , with limited capacity for NIR method development
    – Labs                , using NIR            , with limited capacity for NIR method development
    – small Labs        , starting with NIR , with no or less Chemometric knowledge


The Triple to success :
faster better analytics
    LAB Reference Analytics + NIR Spectroscopy + ChemoMetrics
    LAB + NIR +
CM
    => use CM as a Service : CalibrationModel


NIR Method Development : Before / After
    Before
    – The
need of a chemometric software ($$)
    – The
need of expert training courses (time,$$)
    – The
need of manual expert work (time,$$$)
    with
CalibrationModel
    – The
freedom without a chemometric software
    – The
freedom without being an expert
    – The
freedom of using a Service ($)
    =>
work smart, not hard
See Cost Comparision

Workflow:
    Cloud Service
        DATA ->
CalibrationModel -> CALIB
                    fix cost, pay per CALIB development and usage

    Local Usage (no internet connection)
        DATA -> CALIB +
Predictor -> RESULT
                                included, no extra cost

    DATA = exported
Spectra and (Lab-)reference values as JCAMP-DX or other data formats
    CALIB = single quantitative property


Sending DATA
    DATA is sent by email, 2-3 days later, receive email with link to
      WebShop to purchase CALIB with PayPal/CreditCard
    DATA is
deleted after processing (Terms of Service TOS)
    optional: JCAMP
Anonymizer (removes sensitive information) before sending DATA


As Middleman you can
hide/cover the Service
    Customer <————————> CalibrationModel
                            or
    Customer <–>
Middleman <–> CalibrationModel
                        NIR Company
                        NIR Sales, Consultancy


Riskless Predictor OEM integration (in NIR-Vendors Instrument Software)
    Predictor is included at
no extra cost (for software licenses and development kit (SDK))
    Predictor as a
hidden second engine (second Heart)
    Windows .NET, easy programming interface (API)


Ownership
    
DATA owner -> CALIB owner ==> use as your Pre-CALIB
    CALIB is licensed to owner and so copy protected
    The owner can Re-License a CALIB to others
    owner can
re-sell CALIBs in its own WebShop with own prices


Re-Calibration
    DATA + DATA -> CALIB    same easy workflow as    DATA -> CALIB
    optimize from scratch, benefit from complete optimization possibilities
    
learn more
NIR-Predictor Software

NIR-Predictor

New: NIR-Predictor V2.6 with new features

The new Version of the free NIR-Predictor
supports GRAMS .SPC, CSV, JCAMP and multiple native file formats
of miniature, mobile and desktop spectrometers
get your spectra analyced as easy as Drag’n’Drop.

Spectra Plots and Histograms on the Prediction Report
  • NIR-Predictor is an easy to use NIR software for all NIR devices
    to produce quantitative results out of NIR data.

  • CalibrationModel Service provides development of
    customized calibrations out of NIR and Lab data.

  • It allows to use NIR with your own customized
    models without the need of Chemometric Software!

  • We do the Machine Leraning for your NIR-Spectrometer
    and with the free NIR-Predictor you are
    able to analyze new measured samples.

  • For NIR-Vendors we also offer the
    Software Development Kit (SDK) for OEM Predictor use
    via the Application Programming Interface (API).
    Think of a sencod predictor engine,
    as a second heart in your system.



Download

Key Features of NIR-Predictor

  • Super flexible prediction with automatic file format detection
  • Support for many mobile and desktop NIR Spectrometers file format
  • Application concept allows to group multiple Calibrations together for an Application
  • Prediction Report shows Histogram Charts of the tabulated prediction results
  • Sample based Properties File Creator for combining NIR and Lab reference data
  • Checked creation of a single file Calibration Request

Super flexible prediction

Loads multiple files at once in

  • different file-formats and …
  • different wave-ranges and wave-resolutions and …
  • predicts each spectrum with all compatible calibrations and …
  • merges the results in a report and …
  • saves the report as HTML.

It allows you to

  • comparing measurements
  • compare different calibrations
  • compare different spectrometers,
    carry out your own round-robin amongst the vendors’ instruments.
  • compare different spectra file formats

With no configuration and no special menu command,
just drag & drop your data files.

Videos


Properties File Creator

A tool for the NIR-User to create the property file easily. It helps to create a CSV file from the measured spectra files with sample names and properties to edit in Spreadsheet/EXCEL software. Lets you enter Lab-Reference-Values in a sample-based manner, corresponding to your sample spectra for calibration. It contains clever automatic analysis mechanisms of inconsistencies in your raw-data to increase the data quality for calibration. Provides detailed analyzer information for manual data cleanup when needed.

It’s time saving and less error prone because you DON’T need to open each spectrum file separately in an editor and copy the spectral values into a table grid beside the Lab-values.

Properties File Creator saves you from:

  • manually error prone and boring tasks
  • importing multiple data files and combining it’s content manually into a single data file to append the lab reference values (aka properties)
  • programming and writing scripts to transform the data into the shape needed
  • no trouble with data handling of
    • Wavelength / Wavenumber information (x-axis)
    • Absorbance / Reflectance labeling (y-axis)
    • checking compatibility of the raw data before merging
    • Averaging Spectral Intensities of a Sample
    • coping, flipping and transposing rows and colums to get the X-Block and Y-Block data sets ready for calibration modeling
    • limited and error prone table grid functionality

Because it’s all automatic and you can check the results and get the analysis information!

Properties File Creator provides you – a individual template based on your raw-data for combining NIR and Lab-values – analysis and checks for better data quality for calibration

Top 8 Reasons why you should use
Automated NIR Calibration Service

  • No subjective model selection
  • No variation in results and interpretation
  • No overfitting model
  • Better accuracy
  • Better precision
  • Time saving!
  • No software cost (no need for Chemometric software and training)
  • One free prediction software for all your NIR systems

Reduce Total Cost of Ownership (TCO) of your NIR

To be ahead of competitors
  • by not owning a chemometric software
  • by not struggling days with these complicated software
  • by not deep dive into chemometrics theory
It takes significant know-how and continous investment to develop calibrations
  • You need to have the relevant skill sets in your organization.
  • That means salaries (the biggest expense in most organizations)
To get most out of it, start now!
  • use the free NIR-Predictor together with your NIR-Instrument software
  • as an NIR-Vendor, integrate the free NIR-Predictor OEM into your NIR-Instrument software
  • don’t delay time-to-market
Read more about NIR Total cost of ownership (TCO)

Download


About the included Demo-Spectra and Demo-Calibrations

The demo calibrations for the spectrometers from

  • Si-Ware Systems
  • Spectral Engines
  • Texas Instruments
  • VIAVI

are built with the raw data, thankfully provided from Prof. Heinz W Siesler, from this publication

“Hand-held near-infrared spectrometers:
State-of-the-art instrumentation and practical applications”
Hui Yan, Heinz W Siesler
First Published August 20, 2018 Research Article
https://doi.org/10.1177/0960336018796391

The demo calibrations for the FOSS are built with the

ANSIG Kaji Competition 2014 shootout data
http://www.anisg.com.au/the-kaji-competition


References

Quickstart: NIR-Predictor – Manual

Features and Version History: NIR-Predictor – Release Notes History

Supported NIR Spectra Formats: NIR-Predictor supported Spectral Data File Formats

Frequently Asked Questions: NIR-Predictor – FAQ

WebShop : CalibrationModel WebShop

About

Bossart Analytics develops unique specialized chemometric software for NIR spectroscopy and offers calibration development and optimization services.


It is our strong belief that chemometric models and machine learning methods importance is steadily increasing. We focus on the algorithms and know-how for the development of optimal NIR calibration models.

With our long year experience in chemometrics and NIR spectroscopy know how, we offer a hardware vendor independent service for quantitative calibration modeling for full range NIR spectrometer.

Main Advantages, see Paradigm Change in NIR.


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