Start Calibrate – NIR Quick Guide

Quick Start NIR Workflow: step by step

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

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

3. With your “NIR device” measurement software:

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

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



Videos


Spectroscopy and Chemometrics News Weekly #39, 2019

CalibrationModel.com

Get NIR results effectively and smart with one software, the free NIR-Predictor V2.4
– now includes clever tooling to combine NIR and Lab data with minimal effort.

Spectroscopy and Chemometrics News Weekly 38, 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 38, 2019 | NIRS NIR Spektroskopie Chemometrie Spektrometer Sensor Nahinfrarot Chemie Analytik Analysentechnik Analysemethode Nahinfrarotspektroskopie Laboranalyse Qualitätslabor FTNIR LINK

Spettroscopia e Chemiometria Weekly News 38, 2019 | NIRS NIR Spettroscopia Chemiometria analisi chimica Spettrale Spettrometro Chem Sensore Attrezzatura analitica Laboratorio analisi prova qualità Analysesystem predictionmodel LINK




Near Infrared (NIR)

Get NIR results effectively and smart with one software, it includes clever tooling to combine NIR and Lab data with minimal effort. LINK

“Raw Material Variability and Its Impact on the Online Adaptive Control of Cohesive Powder Blend Homogeneity Using NIR Spectroscopy” LINK

“Pain Analysis, in Premature Infants, Using Near Infrared Spectroscopy (NIRS)” LINK

“Fast determination of oxides content in cement raw meal using NIR spectroscopy combined with synergy interval partial least square and different preprocessing …” LINK

“Near Infrared Reflectance (NIR) Spectroscopy assessment for Reproductive status detection and discrimination in Plethodontid females” LINK

“Detección temprana y discriminación de enfermedades fúngicas en plantas usando espectroscopía in situ” NIRS LINK

” Dataset on equine cartilage near infrared spectra, composition, and functional properties” LINK

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

“The potential of portable near infrared spectroscopy for assuring quality and authenticity in the food chain, using Iberian hams as an example” LINK

“Near-infrared spectroscopy to assess typhaneoside and isorhamnetin-3-O-glucoside in different processed products of pollen typhae” LINK




Chemometrics and NIR

“Near infrared spectroscopy as a tool for predicting growth habit and gender of Araucaria angustifolia” LINK

“A Systematic Chemometric Approach to Identify the Geographical Origin of Olive Oils” LINK

“Accuracy and biases in predicting the chemical and physical traits of many types of cheeses using different visible and near-infrared spectroscopic techniques and …” 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

“Classification of Pathogenic Bacteria Using Near-Infrared Diffuse Reflectance Spectroscopy” LINK




Hyperspectral Imaging (HSI)

” Hyperspectral Imaging (HSI) in anatomic left liver resection” LINK




Environment

“Evaluating low-cost portable near infrared sensors for rapid analysis of soils from South Eastern Australia” LINK




Agriculture and NIR

“Vis-Nir Reflectance Spectroscopy for Assessment of Soil Organic Carbon in a Rice-Wheat Field of Ludhiana District of Punjab” LINK

“The use of near infrared spectroscopy for the prediction of gaseous and particulate emissions from agricultural feedstock pellets” LINK

“Comparison of methods to estimate crude protein and digestible organic matter content of diets ingested by free-ranging sheep” LINK




Pharma and NIR

“QbD Innovation Through Advances in PAT, Data Analysis Methodologies, and Material Characterization” LINK




Other

“Non-Destructive Evaluation Techniques and What They Tell Us about Wood Property Variation” LINK





NIR-Predictor

New: NIR-Predictor V2.4 with new features

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

  • 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

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