NIR-Predictor – Frequently Asked Questions (FAQ) / Häufig gestellte Fragen / Domande frequenti

NIR-Predictor – FAQ

NIR-Predictor – FAQ

Please also refer to the NIR-Predictor – Manual and check the Hints and Notes.

How to Configure / Load / Import / Activate / Setup / Use the Calibrations (*.cm) in NIR-Predictor?

Chapter “Configure the Calibrations for prediction usage” – NIR-Predictor – Manual

Do you have a calibration file for XY ?

We create custom calibrations out of your NIR + Lab measurements of XY.
We do not sell off-the-shelf calibrations.

I have downloaded the software but can’t see it?

Please note, that the download time will be very short, because of the small file size.
Check your browser’s download folder. The download is the file “NIR-PredictorVx.y.zip”

Why a .zip and no installer (Setup.exe) ?

Because a .zip deploy keeps it simple for all:

easy : no Administrator rights needed to install, delete it to uninstall
harmless : no system changes during setup
transparency : you see what you get

Is there a command line (CLI) version of NIR-Predictor ?

If you want to customize it in all details, our OEM API for NIR-instrument-software (White-Label) integration gives you full access. If you are an NIR-Vendor (or similar) please contact us via email info@CalibrationModel.com

The free NIR-Predictor does not create a model, what is wrong ?

As the name says, the NIR-Predictor just predicts NIR data with a model. To create a model you need to send your data to the CalibrationModel service, after development process you get an email with a link to the calibration where it can be purchased and downloaded.

Why does the creation of the PropertyFile.txt take so long with hundrets of spectra files?

It normally takes only 1-10 seconds not minutes.
Make sure that the spectra data files are stored locally on your main drive
and not on a cloud-drive or network storage or slow USB thumb drive or SD-Card.

Is there a way to use converted ASCII spectrum data to be used in NIR-Predictor?

Yes, this is the simplest ASCII CSV file format the NIR-Predictor supports.
And there are other formats supported.

Can you convert old calibration data from vendor A to be integrated to our new vendor B NIRS calibration data in our instrument?

No, we don’t do model or spectra conversion / transformation (aka model transfer).
We build optimized models with wavelength compatible data.

Does NIR-Predictor contain any malware, spyware or adware?

No, NIR-Predictor does not contain any malware, spyware or adware.

How to copy the prediction results from the table in the browser?

Copy selected columns from the table.
By holding down the Ctrl key, rectangular areas in the table can be selected with the mouse and copied to the clipboard with Ctrl+C and then copied to a spreadsheet program with Ctrl+V.

Will an expired calibration still work?

No. Until you extend the usage time.

The expired calibration file will be moved to the CalibrationExpired folder on the next start of NIR-Predictor or “Search and load Calibrations” menu function.

Selected Calibration files from the folder CalibrationExpired can be send to info@CalibrationModel.com with your Request file (.req) files for extending their usage time.

There is the possibility to get a perpetual usage, which means their is no expiration (valid until 2050).

That way you can get the time extended calibration back, that behaves exactly as the one before with extended usage time.

What does the calibration Expiration date mean exactly on the Prediction Report?

The Expiration date, it is the final day when the calibration will be valid (similar to credit cards).

What does the (number) in brackets after the [range] mean?

During the creation of a Calibration Request the NIR-Predictor shows a message containing

” ‘Prop1’ / “Quantitative [1.40 – 2.90] (154) “

here 154 is the number of unique values in the property range.

How long does it take to create of the property file and calibration request file from 500 spectra files?

Use a local folder on your computer (not a network drive) for your spectra files then the property file and the calibration request file is created in around 1-3 seconds. (measured on a system with SSD drive, Intel i7, 2.4 GHz)

I tried to create the calibration request and got the error message: The number of Property Values of all spectra are different?

Use the generated PropertiesBySpectra (Note: Spectra not Sample) template file.
Do not reformat the generated template file, just fill in the Property values and save as Text CSV (*.csv) file (not as Excel file “.xlsx”).

Are you able to create the calibration if we only have 20 spectra?

To create a reliable quantitative calibration you need measured spectra of at least 48..60 (more is better) different samples with different Lab-values in the required measuring range!
The NIR-Predictor will check for that automatically.

Same sample measured multiple times (replicate measurements), how to enter the Lab-value only once in Property file?

Use the created PropertiesBySample template (not the PropertiesBySpectra).

Different samples with exact the same Lab-value, how to enter the Lab-Values?

Entering the Lab-values into the generated PropertiesBySpectra template the NIR-Predictor detects them as the same Sample and as a result we have too less different values to build a calibration.
But in my case these are different samples with exact the same Lab-value, how to do?

You have to cheat a little bit to make NIR-Predictor do not detect same sample as measured multiple times.
This is because most NIR users do replicate measurements on the same sample and NIR-Predictor looks for that.
In PropertiesBySpectra modify the values a little bit to make them different, e.g.
0.18
0.18001
0.18002

Is the free NIR-Predictor software you provide for anyone to download and use?

Yes, if downloaded directly from our homepage by the user.
See also Software License Agreement

What is an Outlier?

The spectrum is an outlier to the model, if the spectrum is not similar with the spectra and lab-values the model is built with.

The default setting in NIR-Predictor Menu > “Report with Simplified Outlier Symbols”
is ON, that will show only the worst case instead of all combinations to have a simplified minimal information.
if OFF, that will show the combinations (e.g. “XO=” or “XO” or “O=” or “X=”), which is more informative for analyzing problem cases.
See also manual chapter Outliers.

If something is wrong, please tell us

August 5, 2019

Spectroscopy and Chemometrics News Weekly #31, 2019Spektroskopie und Chemometrie Neuigkeiten Wöchentlich #31, 2019Spettroscopia e Chemiometria Weekly News #31, 2019

CalibrationModel.com

Spectroscopy and Chemometrics News Weekly 30, 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 30, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysengeräte Analysentechnik Analysemethode Nahinfrarotspektroskopie Qualitätslabor Labs LINK

Spettroscopia e Chemiometria Weekly News 30, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem prediction calibration LINK

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

Chemometrics

"Application of Near-infrared Spectroscopy and Multiple Spectral Algorithms to Explore the Effect of Soil Particle Sizes on Soil Nitrogen Detection" LINK

"A Calibration Transfer Methodology for Standardization of Raman Instruments with Different Spectral Resolutions using Double Digital Projection Slit" LINK

"FT-NIR: a tool for rapid intracellular lipid quantification in oleaginous yeasts." LINK

"Classification of Hen Eggs by HPLC-UV Fingerprinting and Chemometric Methods" Foods LINK

"Application of Near Infrared Spectroscopy Combined with SVR Algorithm in Rapid Detection of cAMP Content in Red Jujube" LINK

"基于相似性度量的改进 KS 算法对近红外光谱分析模型的影响研究" "Influence of Similarity Measure Based Improved KS Algorithm on Near-Infrared Spectroscopy Analysis Model" LINK

"Classification of amino resins and formaldehyde near infrared spectra using K-nearest neighbors" LINK

"Automated near infrared analyzer validation (ASTM D6122) for the oil and gas industry" LINK

Near Infrared

"Construction of Database System on Amylose and Protein Contents Distribution in Rice Germplasm Based on NIRS Data" LINK

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

"Non-destructive determination of taste-related compounds in tomato using NIR spectra" LINK

is proud to present our new paper on Near infrared diffuse reflectance spectroscopy for rapid and comprehen... LINK

Jean-Martial Johnson, Elke Vandamme, Kalimuthu Senthilkumar, Andrew Sila, Keith D.Shepherd, Kazuki Saito ' Near-infrared, mid-infrared or combined diffuse reflectance spectroscopy for assessing soil fertility in rice fields in sub-Saharan Africa' Geoderma LINK

.Sensomics - From conventional to functional NIR spectroscopy - Shining light over the aroma and taste of foods - LINK

"Aquaphotomics - From Innovative Knowledge to Integrative Platform in Science and Technology" Molecules water NIRS biomonitoring biomeasurements LINK

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

Infrared

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods" LINK

"Data on near infrared polarization spectroscopy measurements to evaluate the potential of the Mueller matrix elements in characterization of turbid liquid samples." LINK

"Moisture content detection of maize seed based on visible/near‐infrared and near‐infrared hyperspectral imaging technology" LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology" LINK

"Discrimination of CRISPR / Cas9-induced mutants of rice seeds using near-infrared hyperspectral imaging." LINK

"At-Line Monitoring of the Extraction Process of Rosmarini Folium via Wet Chemical Assays, UHPLC Analysis, and Newly Developed Near-Infrared Spectroscopic Analysis Methods." LINK

"Near Infrared Spectroscopic Applications in Pharmaceutical Particle Technology." LINK

Raman

"IJMS, Vol. 20, Pages 3398: Analysis of Human Colon by Raman Spectroscopy and Imaging-Elucidation of Biochemical Changes in Carcinogenesis" LINK

Fortbildungskurs zur “Schwingungsspektroskopie für die chemische Qualitäts- und Prozesskontrolle: Theorie, Instrumentation und Applikationen für die Raman-, Mittel-Infrarot, Nah-Infrarot und Fern-Infrarot Spektroskopie“ 17.-19. September 2019 Essen, BRD LINK

Hyperspectral

"Application of Hyperspectral Imaging as a Nondestructive Technique for Foodborne Pathogen Detection and Characterization" LINK

"Optimal Band Selection for Improvement of Hyperspectral Palmprint Recognition System by Using SVM and KNN Classifier" LINK

"Mapping the spatiotemporal distribution of acid and moisture in food structures during gastric juice diffusion using hyperspectral imaging" LINK

"Hyperspectral imaging for a rapid detection and visualization of duck meat adulteration in beef" LINK

Equipment

"Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices." LINK

Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers." LINK

Agriculture

"Evaluation of two compact near-infrared spectrometers for the detection of microplastics in soil samples" LINK

"Estimation of Crop Chlorophyll Content by Spectral Indices Using Hyperspectral Non-imaging Data" LINK

"Evaluation of Pretreatment Methods for Prediction of Soil Micronutrients from Hyperspectral Data" LINK

"Investigating the total antioxidant capacity of gluten-free grains with miniaturized near-infrared spectrometer" LINK

Food & Feed

"Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)" LINK

Chemical

"Some Applications of Vibrational Spectroscopy for the Analysis of Polymers and Polymer Composites" LINK

Other

"근적외선분광분석에 의한 동아시아 지역 재래종 벼 유전자원의 아밀로스 및 단백질함량 변이분석" LINK

.

CalibrationModel.com

Chemometrics

Near Infrared

Infrared

Raman

Hyperspectral

Equipment

"Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices." LINK

Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers." LINK

Agriculture

Food & Feed

"Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)" LINK

Chemical

"Some Applications of Vibrational Spectroscopy for the Analysis of Polymers and Polymer Composites" LINK

Other

"근적외선분광분석에 의한 동아시아 지역 재래종 벼 유전자원의 아밀로스 및 단백질함량 변이분석" LINK

.

CalibrationModel.com

Chemometrics

Near Infrared

Infrared

Raman

Hyperspectral

Equipment

"Effect of the Architecture of Fiber-Optic Probes Designed for Soluble Solid Content Prediction in Intact Sugar Beet Slices." LINK

Environment

"MIR spectral characterization of plastic to enable discrimination in an industrial recycling context: I. Specific case of styrenic polymers." LINK

Agriculture

Food & Feed

"Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)" LINK

Chemical

"Some Applications of Vibrational Spectroscopy for the Analysis of Polymers and Polymer Composites" LINK

Other

"근적외선분광분석에 의한 동아시아 지역 재래종 벼 유전자원의 아밀로스 및 단백질함량 변이분석" LINK