Spectroscopy and Chemometrics News Weekly #50, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #50, 2019 Spettroscopia e Chemiometria Weekly News #50, 2019

CalibrationModel.com

Total cost of ownership (TCO) of NIR-Spectroscopy Systems in the Age of Digitalization - Compare Operating Costs of NIRS LINK

Spectroscopy and Chemometrics News Weekly 49, 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 49, 2019 | NIRS NIR Spektroskopie MachineLearning Spektrometer Sensor Nahinfrarot LaborAnalytik Analysengeräte Analysentechnik Analysemethode Labor Nahinfrarotspektroskopie Qualitätslabor LINK

Spettroscopia e Chemiometria Weekly News 49, 2019 | NIRS NIR Spettroscopia MachineLearning 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.




Near Infrared

" Raman Spectroscopy and NIR Spectroscopy as Possible AID in Localisation of Solitary Pulmonary Nodules" LINK

NIR spectroscopy has potential for rapid on farm analysis of slurry nutrient content. Wouter Saeys, IFSConf LINK

"Modeling for SSC and Firmness Detection of Persimmon Based on NIR Hyperspectral Imaging by Sample Partitioning and Variables Selection" LINK

" Application of the NIR Spectroscopy in the Researches of Orthopedics Diseases" LINK

"FT-NIR による油脂の迅速な品質管理" LINK

"Accuracy improvement of quantitative analysis in VIS-NIR spectroscopy using the GKF-WTEF algorithm." LINK

"Rapid determination of the content of digestible energy and metabolizable energy in sorghum fed to growing pigs by near-infrared reflectance spectroscopy." LINK

"Characterization of the Processing Conditions upon Textural Profile Analysis (TPA) Parameters of Processed Cheese Using Near-Infrared Hyperspectral Imaging" LINK

"Total aromatics of diesel fuels analysis by deep learning and near-infrared spectroscopy" LINK

"Rapid Assessment of Soil Quality Indices Using Infrared Reflectance Spectroscopy" LINK

"Quantitative Determination of the Fiber Components in Textiles by Near-Infrared Spectroscopy and Extreme Learning Machine" LINK

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

"Qualitative analysis for sweetness classification of longan by near infrared hyperspectral imaging" LINK

" MENGUKUR BERAT VOLUME TANAH DI LAPANGAN MENGGUNAKAN NEAR INFRARED SPECTROSCOPY MEASUREMENT OF SOIL BULK DENSITY IN …" LINK

"Hyperspectral Characteristics of Coastal Saline Soil with Visible/near Infrared Spectroscopy" LINK

"Monitoring Soil Surface Mineralogy at Different Moisture Conditions Using Visible Near-Infrared Spectroscopy Data" LINK

"Near infrared spectroscopy for assessing mechanical properties of Castanea sativa wood samples" Modulus of elasticity LINK

" Development of near-infrared spectroscopic sensing system for online real-time monitoring of milk quality during milking" LINK

" Advances in Near-Infrared Spectroscopy and Related Computational Methods" LINK

"Morphological, Physicochemical and FTIR Spectroscopic Properties of Bee Pollen Loads from Different Botanical Origin" LINK

"Fourier transform infrared imaging and quantitative analysis of pre-treated wood fibers: A comparison between partial least squares and multivariate curve resolution with alternating least squares methods in a case study" LINK

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




Hyperspectral

"Development of Simplified Models for Nondestructive Testing of Rice with Husk Starch Content Using Hyperspectral Imaging Technology" LINK




Spectral Imaging

"Model for estimation of total nitrogen content in sandalwood leaves based on nonlinear mixed effects and dummy variables using multispectral images" LINK

"Sources of Variation in Assessing Canopy Reflectance of Processing Tomato by Means of Multispectral Radiometry" LINK




Chemometrics

"Sampling for spectroscopic analysis: consequences for multivariate calibration" LINK

"Combination of hyperspectral sensing images and chemometrics for measuring tensile strength indices of organic plastic sheeting in the field" LINK

" Comparison of prediction power of three multivariate calibrations for estimation of leaf anthocyanin content with visible spectroscopy in Prunus cerasifera" LINK

" Prediction of quality parameters of food residues using NIR spectroscopy and PLS models based on proximate analysis" LINK

"Pre-processing spectroscopic data: for good or ill?" LINK




Process Control

"Optimization of pickled herring production-Approaches for process and quality control-DTU Orbit (26/09/2019)" LINK




Environment

"Response surface methodology for optimizing LIBS testing parameters: A case to conduct the elemental contents analysis in soil" LINK




Pharma

"Rapid detection of cAMP content in red jujube using near-infrared spectroscopy" LINK

"Rapid identification of pathogenic bacteria using Raman spectroscopy and deep learning." LINK




Other

"Determination of Carvacrol Content in Alaska Yellow Cedar (Callitropsis nootkatensis) Extractives" LINK





Cost comparison / Price comparison of Chemometrics / Machine Learning / Data Science for NIR-Spectroscopy – Kostenvergleich / Preisvergleich von Chemometrie / Maschinelles Lernen / Data Science für die NIR-Spektroskopie – Confronto dei costi / Confronto dei prezzi della chemiometria / Apprendimento automatico / Scienza dei dati per la spettroscopia NIR

Reduce Operating Costs and Total Cost of Ownership (TCO) of NIR-Spectroscopy (NIRS) in the Digitalization Age.

NIR-Spectroscopy (NIRS) - Reduce cost, Increase revenue

Reduce Cost by automated NIR development.
Increase Revenue by higher accuracy NIR results.

CalibrationModel.com (CM) versus Others

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

CM fix € pricing (approx.)Others € Price Range (approx.)
Software
included
Chemometric Packagenot‑needed
€3500 - €6500 per user
Chemometric Predictor
free‑software
€1500 - €2500 per NIR device
Knowledge
included
Chemometric Trainingnot‑needed
€1500 - €2500 per user
Chemometrician* Salarynot‑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



Start Calibrate – NIR Quick Guide / Kalibrierung starten – NIR Kurzanleitung / Avvio della calibrazione – Guida rapida NIR


More Details

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 :
watch Video
read Manual

Videos



Mehr Details

Schnellstart NIR-Workflow: Schritt für Schritt

1.
Überprüfen Sie, ob Ihr NIR-Geräte-Datenformat direkt unterstützt wird (sonst können Sie nach JCAMP konvertieren). :
NIR-Predictor supported Spectral Data File Formats

2.
Laden Sie die kostenlose NIR-Predictor Software herunter, die Demo-Daten enthält, damit Sie mit ihr spielen können, um zu sehen, ob es die Art und Weise ist, wie Sie Ihre NIR-Spektren analysieren wollen (keine Registrierung erforderlich): :
NIR-Predictor Download

3.
Mit Ihrer "NIR Instrument" Messsoftware :

  • Proben mit NIR messen, das liefert Ihnen Spektrendateien,
  • kennzeichnen Sie sie mit einem richtigen Probennamen, damit Sie wissen, was was was ist.
  • Bestimmung der quantitativen Referenzwerte durch die Laborreferenzmethode.
  • Für eine Minimalkalibrierung werden mindestens 60 vermessene Proben mit unterschiedlichem Inhalt benötigt.
  • Der NIR-Predictor hilft bei der Erstellung einer Vorlagendatei (.csv) zur Eingabe der Lab-Werte.

4.
Erstellen Sie Ihre eigenen Kalibrierungen mit dem NIR-Predictor, um Ihre NIR- und Lab-Daten für eine Kalibrierungsanforderung zu kombinieren :
siehe Video
lese Handbuch

Videos



Maggiori dettagli

Avvio rapido del flusso di lavoro NIR: passo dopo passo

1.
Controlla se il tuo NIR-Device Data Format è supportato direttamente (in ogni caso puoi convertirlo in JCAMP) :
NIR-Predictor supported Spectral Data File Formats

2.
Scarica il software gratuito NIR-Predictor che contiene i dati dimostrativi per poter giocare con esso per vedere se è il modo in cui vuoi analizzare i tuoi spettri NIR (non è necessaria la registrazione) :
NIR-Predictor Download

3.
Con il software di misura "NIR device" :

  • misurare i campioni con il NIR, in modo da ottenere i file degli spettri,
  • etichettarli con un nome di esempio corretto, in modo da sapere qual è quale,
  • e determinare i valori quantitativi di riferimento con il metodo di riferimento di laboratorio.
  • sono necessari almeno 60 campioni con contenuti diversi per una calibrazione minima.
  • NIR-Predictor aiuta a creare un file modello (.csv) per inserire i valori di laboratorio.

4.
Creazione di calibrazioni personalizzate con NIR-Predictor per combinare i dati NIR e di laboratorio per una richiesta di calibrazione :
vedi il Video
leggi il manuale

Videos

Spectroscopy and Chemometrics News Weekly #40, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #40, 2019 Spettroscopia e Chemiometria Weekly News #40, 2019

CalibrationModel.com

"Food quality digitized at the "speed of light" " : Food Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Spectroscopy and Chemometrics News Weekly 39, 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 39, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 39, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel HSI LINK




Chemometrics

"Near-infrared spectroscopy to determine residual moisture in freeze-dried products: model generation by statistical design of experiments LINK

"制浆材木质素含量近红外分析模型传递研究" "Study on Near-infrared Calibration Model Transfer for Lignin Content in Pulpwood" LINK

"Prediction of Mineral Composition in Commercial Extruded Dry Dog Food by Near-Infrared Reflectance Spectroscopy" LINK




Near Infrared

"Influence of Particles Size on NIR Spectroscopic Estimations of Charcoal Properties" LINK

"Measurement of refractive index of hemoglobin in the visible/NIR spectral range." LINK

"Feasibility on using NIR spectroscopy for the measurement of the textural parameters in mango" LINK

"NIR Spectroscopy as a Suitable Tool for the Investigation of the Horticultural Field" LINK

"Handheld Near-Infrared Spectroscopy for Distinction of Extra Virgin Olive Oil from Other Olive Oil Grades Substantiated by Compositional Data" LINK




Infrared

"Short-wave near infrared spectroscopy for the quality control of milk" LINK

"Rapid detection of infrared inactive sodium chloride content in frozen tuna fish for determining commercial value using short wavelengths" LINK




Equipment

Visible/near Infrared Reflection Spectrometer and Electronic Nose Data Fusion as an Accuracy Improvement Method for Portable Total Soluble Solid Content Detection of Orange" LINK




Environment

"Prediction of soil available water-holding capacity from visible near-infrared reflectance spectra." LINK




Agriculture

"Local anomaly detection and quantitative analysis of contaminants in soybean meal using near infrared imaging: The example of non-protein nitrogen." LINK

"Challenges and opportunities in clinical translation of biomedical optical spectroscopy and imaging." LINK

"The potential of CIELAB colour scores to gauge the quality of sorghum as a feed grain for chicken-meat production" LINK




Food & Feed

"Control and Monitoring of Milk Renneting Using FT-NIR Spectroscopy as a Process Analytical Technology Tool" Foods LINK

Food quality digitized at the "speed of light" This shows how using spectroscopy for measuring food quality can become the future for many businesses - With the speed of light LINK

"A Study on the use of Spectroscopic Techniques to Identify Food Adulteration" LINK

"Recent advances in micro-level experimental investigation in food drying technology" LINK




Laboratory

"In situ reaction monitoring using spectroscopy can be very useful in an industrial laboratory, but there are many factors to take into account." Click Here for Seven Essential Steps for In Situ Reaction Monitoring: LINK





CalibrationModel.com

"Food quality digitized at the "speed of light" " : Food Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Spectroscopy and Chemometrics News Weekly 39, 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 39, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 39, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel HSI LINK




Chemometrics

"Near-infrared spectroscopy to determine residual moisture in freeze-dried products: model generation by statistical design of experiments LINK

"制浆材木质素含量近红外分析模型传递研究" "Study on Near-infrared Calibration Model Transfer for Lignin Content in Pulpwood" LINK

"Prediction of Mineral Composition in Commercial Extruded Dry Dog Food by Near-Infrared Reflectance Spectroscopy" LINK




Near Infrared

"Influence of Particles Size on NIR Spectroscopic Estimations of Charcoal Properties" LINK

"Measurement of refractive index of hemoglobin in the visible/NIR spectral range." LINK

"Feasibility on using NIR spectroscopy for the measurement of the textural parameters in mango" LINK

"NIR Spectroscopy as a Suitable Tool for the Investigation of the Horticultural Field" LINK

"Handheld Near-Infrared Spectroscopy for Distinction of Extra Virgin Olive Oil from Other Olive Oil Grades Substantiated by Compositional Data" LINK




Infrared

"Short-wave near infrared spectroscopy for the quality control of milk" LINK

"Rapid detection of infrared inactive sodium chloride content in frozen tuna fish for determining commercial value using short wavelengths" LINK




Equipment

Visible/near Infrared Reflection Spectrometer and Electronic Nose Data Fusion as an Accuracy Improvement Method for Portable Total Soluble Solid Content Detection of Orange" LINK




Environment

"Prediction of soil available water-holding capacity from visible near-infrared reflectance spectra." LINK




Agriculture

"Local anomaly detection and quantitative analysis of contaminants in soybean meal using near infrared imaging: The example of non-protein nitrogen." LINK

"Challenges and opportunities in clinical translation of biomedical optical spectroscopy and imaging." LINK

"The potential of CIELAB colour scores to gauge the quality of sorghum as a feed grain for chicken-meat production" LINK




Food & Feed

"Control and Monitoring of Milk Renneting Using FT-NIR Spectroscopy as a Process Analytical Technology Tool" Foods LINK

Food quality digitized at the "speed of light" This shows how using spectroscopy for measuring food quality can become the future for many businesses - With the speed of light LINK

"A Study on the use of Spectroscopic Techniques to Identify Food Adulteration" LINK

"Recent advances in micro-level experimental investigation in food drying technology" LINK




Laboratory

"In situ reaction monitoring using spectroscopy can be very useful in an industrial laboratory, but there are many factors to take into account." Click Here for Seven Essential Steps for In Situ Reaction Monitoring: LINK





CalibrationModel.com

"Food quality digitized at the "speed of light" " : Food Sample -> measured with a NIRS spectrometer -> spectral data -> ⚖️ predicted with a NIRPredictor & CalibrationModel -> % quantitative results -> quality decision -> LINK

Spectroscopy and Chemometrics News Weekly 39, 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 39, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse LINK

Spettroscopia e Chemiometria Weekly News 39, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel HSI LINK




Chemometrics

"Near-infrared spectroscopy to determine residual moisture in freeze-dried products: model generation by statistical design of experiments LINK

"制浆材木质素含量近红外分析模型传递研究" "Study on Near-infrared Calibration Model Transfer for Lignin Content in Pulpwood" LINK

"Prediction of Mineral Composition in Commercial Extruded Dry Dog Food by Near-Infrared Reflectance Spectroscopy" LINK




Near Infrared

"Influence of Particles Size on NIR Spectroscopic Estimations of Charcoal Properties" LINK

"Measurement of refractive index of hemoglobin in the visible/NIR spectral range." LINK

"Feasibility on using NIR spectroscopy for the measurement of the textural parameters in mango" LINK

"NIR Spectroscopy as a Suitable Tool for the Investigation of the Horticultural Field" LINK

"Handheld Near-Infrared Spectroscopy for Distinction of Extra Virgin Olive Oil from Other Olive Oil Grades Substantiated by Compositional Data" LINK




Infrared

"Short-wave near infrared spectroscopy for the quality control of milk" LINK

"Rapid detection of infrared inactive sodium chloride content in frozen tuna fish for determining commercial value using short wavelengths" LINK




Equipment

Visible/near Infrared Reflection Spectrometer and Electronic Nose Data Fusion as an Accuracy Improvement Method for Portable Total Soluble Solid Content Detection of Orange" LINK




Environment

"Prediction of soil available water-holding capacity from visible near-infrared reflectance spectra." LINK




Agriculture

"Local anomaly detection and quantitative analysis of contaminants in soybean meal using near infrared imaging: The example of non-protein nitrogen." LINK

"Challenges and opportunities in clinical translation of biomedical optical spectroscopy and imaging." LINK

"The potential of CIELAB colour scores to gauge the quality of sorghum as a feed grain for chicken-meat production" LINK




Food & Feed

"Control and Monitoring of Milk Renneting Using FT-NIR Spectroscopy as a Process Analytical Technology Tool" Foods LINK

Food quality digitized at the "speed of light" This shows how using spectroscopy for measuring food quality can become the future for many businesses - With the speed of light LINK

"A Study on the use of Spectroscopic Techniques to Identify Food Adulteration" LINK

"Recent advances in micro-level experimental investigation in food drying technology" LINK




Laboratory

"In situ reaction monitoring using spectroscopy can be very useful in an industrial laboratory, but there are many factors to take into account." Click Here for Seven Essential Steps for In Situ Reaction Monitoring: 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 (white-label)
    Customer <=============> CalibrationModel
                             or
    Customer <==>
Middleman <==> CalibrationModel
                         NIR Company
                         NIR Sales, Consultancy


Riskless Predictor OEM integration (white label) (in NIR-Vendors Instrument Software)
    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
Contact us for predictor integration



 

NIR-Predictor Download

The free NIR-Predictor software
  • comes with demo data, so you can predict sample spectra with demo calibrations.
  • has no functional limitations, no nagging, no ads and needs no license-key.
  • you need no account and no registration to download and use.
  • runs on Microsoft Windows 10/8/7 (Starter, Basic, Professional) (32 bit / 64 bit).
  • no data is ever transmitted from your local machine. We don't even collect usage data.
See more Videos Beside the free NIR-Predictor software with Windows user interface, the real-time Predictor Engine is also available
  • for embedded integration in application, cloud and instrument-software (ICT).
  • As a light-weigt single library file (DLL) with application programming interface (API), documentation and software development kit (SDK) including sample source code (C#).
  • Easy integration and deployment, no software license protection (no serial key, no dongle).
  • Put your spectrum as an array into the multivariate predictor, no specific file format needed.
  • Fast prediction speed and low latency because of compiled code library (direct call, no cloud API).
  • Protected prediction results with outlier detection information.
See NIR Method Development Service for Labs and NIR-Vendors (OEM, White-Label)
Software Size Date Comment
NIR-Predictor V2.6.0.2 (download) What's new, see Release Notes By downloading and/or using the software you accept the Software License Agreement (EULA) 3.7 MB 18.08.2021 public release
Minimal System Requirements Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account Installation There are no administrator rights required, unpack the zip file to a folder "NIR-Predictor" in your documents or on your desktop. Read the ReadMe.txt and double click the NIR-Predictor.exe file. Upgrade If you have installed an older version of NIR-Predictor then unpack into a different folder named e.g. "NIR-PredictorVx.y". All versions can run side-by-side. Copy the Calibrations in use to the new version into the "Calibration" folder. That's all. Uninstall Make sure to backup your reports and calibrations inside your "NIR-Predictor" folder. Delete the "NIR-Predictor" folder. Start Calibrate See also:

The free NIR-Predictor software
  • comes with demo data, so you can predict sample spectra with demo calibrations.
  • has no functional limitations, no nagging, no ads and needs no license-key.
  • you need no account and no registration to download and use.
  • runs on Microsoft Windows 10/8/7 (Starter, Basic, Professional) (32 bit / 64 bit).
  • no data is ever transmitted from your local machine. We don't even collect usage data.
See more Videos Neben der kostenlosen NIR-Predictor-Software mit Windows-Benutzeroberfläche ist die Echtzeit-Predictor-Engine auch verfügbar
  • für die eingebettete Integration in Applikations-, Cloud- und Geräte-Software (ICT).
  • Als leichtgewichtige Einzelbibliotheksdatei (DLL) mit Anwendungsprogrammier-Schnittstelle (API), Dokumentation und Software Development Kit (SDK) inklusive Beispiel-Quellcode (C#).
  • Einfache Integration und Bereitstellung, kein Software-Lizenzschutz (kein Serienschlüssel, kein Dongle).
  • Geben Sie Ihr Spektrum als Array in den multivariaten Prädiktor ein, es ist kein spezielles Dateiformat erforderlich.
  • Schnelle Vorhersagegeschwindigkeit und niedrige Latenz aufgrund der kompilierten Code-Bibliothek (direkter Aufruf, keine Cloud-API).
  • Geschützte Vorhersageergebnisse mit Informationen zur Ausreißererkennung.
Siehe NIR-Methodenentwicklungsservice für Labore und NIR-Anbieter (OEM, White-Label)
Software Size Date Comment
NIR-Predictor V2.6.0.2 (download) What's new, see Release Notes By downloading and/or using the software you accept the Software License Agreement (EULA) 3.7 MB 18.08.2021 public release
Minimal System Requirements Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account Installation There are no administrator rights required, unpack the zip file to a folder "NIR-Predictor" in your documents or on your desktop. Read the ReadMe.txt and double click the NIR-Predictor.exe file. Upgrade If you have installed an older version of NIR-Predictor then unpack into a different folder named e.g. "NIR-PredictorVx.y". All versions can run side-by-side. Copy the Calibrations in use to the new version into the "Calibration" folder. That's all. Uninstall Make sure to backup your reports and calibrations inside your "NIR-Predictor" folder. Delete the "NIR-Predictor" folder. Start Calibrate See also:

The free NIR-Predictor software
  • comes with demo data, so you can predict sample spectra with demo calibrations.
  • has no functional limitations, no nagging, no ads and needs no license-key.
  • you need no account and no registration to download and use.
  • runs on Microsoft Windows 10/8/7 (Starter, Basic, Professional) (32 bit / 64 bit).
  • no data is ever transmitted from your local machine. We don't even collect usage data.
See more Videos Oltre al software gratuito NIR-Predictor con interfaccia utente Windows, il Predictor Engine in tempo reale è disponibile anche
  • per l'integrazione embedded in applicazioni, cloud e strumenti-software (ICT).
  • Come un singolo file di libreria leggera (DLL) con interfaccia di programmazione dell'applicazione (API), documentazione e kit di sviluppo del software (SDK) incluso il codice sorgente di esempio (C#).
  • Facile integrazione e distribuzione, nessuna protezione della licenza software (nessuna chiave seriale, nessun dongle).
  • Inserisci il tuo spettro come array nel predittore multivariato, non è necessario alcun formato di file specifico.
  • Velocità di predizione veloce e bassa latenza grazie alla libreria di codice compilata (chiamata diretta, nessuna API cloud).
  • Risultati di predizione protetti con informazioni di rilevamento degli outlier.
Vedi Servizio di sviluppo del metodo NIR per laboratori e fornitori NIR (OEM, White-Label)
Software Size Date Comment
NIR-Predictor V2.6.0.2 (download) What's new, see Release Notes By downloading and/or using the software you accept the Software License Agreement (EULA) 3.7 MB 18.08.2021 public release
Minimal System Requirements Windows 7 Starter 32Bit, 1.6 GHz, 2 GB RAM, non-Administrator account Installation There are no administrator rights required, unpack the zip file to a folder "NIR-Predictor" in your documents or on your desktop. Read the ReadMe.txt and double click the NIR-Predictor.exe file. Upgrade If you have installed an older version of NIR-Predictor then unpack into a different folder named e.g. "NIR-PredictorVx.y". All versions can run side-by-side. Copy the Calibrations in use to the new version into the "Calibration" folder. That's all. Uninstall Make sure to backup your reports and calibrations inside your "NIR-Predictor" folder. Delete the "NIR-Predictor" folder. Start Calibrate See also:

NIR-PredictorNIR-PrädiktorNIR-Predittore

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

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

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.

Start Calibrate


Bossart Analytics entwickelt einzigartige spezialisierte chemometrische Software für NIR-Spektroskopie und bietet Kalibrierungs- und Optimierungs-Dienstleistungen an.

Es ist unsere feste Überzeugung, dass die Bedeutung von Chemometrischen Modellen und Machine-Learning Methoden stetig zunimmt. Wir konzentrieren uns auf die Algorithmik und Know How zur Entwicklung von optimalen NIR Kalibrations Modellen.

Mit unserer langjährigen Chemometrie Erfahrung und Spektroskopie Know How bieten wir einen Hersteller unabhängigen Service für quantitatives Calibration Modeling für NIR full-range-Spektrometer an.

Hauptvorteile, siehe Paradigmenwechsel im NIR-Bereich

Start Calibrate