Spectroscopy and Chemometrics News Weekly #43, 2016


SWIR region contains chemical spectral info. Chemometrics differentiate 4 sugars. Realtime spectral processing LINK

Near Infrared

Using advanced NIR sensors, our hygenic TS line measures fluid absorption for FoodandBeverage applications: LINK!

“NIR penetrates much further into samples and, unlike Raman, is unaffected by fluorescence.” | Env… LINK

Qualitätskontrolle während der Extrusion – Folie Fremdpolymeren NIRAnalyse Inspektionssystem LINK

Pre-grazing significantly boosts first cut silage quality | NIRanalycer NIRmachine via LINK


Selective Weighted Least Squares Method for Fourier Transform Infrared Quantitative Analysis LINK

Multivariate Analysis of Hemicelluloses in Bleached Kraft Pulp Using Infrared Spectroscopy LINK


Combining hyperspectral and lidar is a great approach to identify & monitor invasive plants species… LINK




US FDA Purchases Transmission Raman for Quantitative Analysis of Tablets & Capsules – European Pharmaceutical Review LINK


“Washington State University (WSU) portable smartphone spectrometer laboratory detects cancer” LINK

Spectroscopy Outside the Lab: LINK


Spectroscopy and Chemometrics News 42, 2016 | NIRS Spectroscopic Chemometric Software LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 42, 2016 | NIRS Spektroskopie Chemometrie Kalibration LINK

Spettroscopia e Chemiometria Weekly News 42, 2016 | NIRS Spettroscopia Chemiometria news LINK

Summary of the NIR Chemometric survey polls

Summary of the NIR Chemometric survey polls (as of end of Sept. 2013)

The interesting finding is that most of the answers fit the following pattern. The most companies that use NIR have one NIR Instrument and only one employee that is able to develop NIR calibrations. For that the most common off-the-shelf chemometrics program is used and spent 2 hours or over a month and therefore gets no calibration training about the complex topics like Chemometrics and NIR Spectroscopy or only once (introduction). The calibration maintenance ranges from never to 3 times a year. Interestingly, there was no one who uses portable NIR instruments. We continue our surveys, for the discovery of new trends. Conclusion Seeing this picture, we think that there is huge potential to improve the calibrations. Advanced knowledge can help individuals to build the calibrations with best practices and improve their models accuracy and reliability. Once the decision and investment in NIR technology is done, you should get the best out of your data, because this extra NIR performance can be given by calibration optimization. We offer this as an easy to use and independent service.

Recent advanced chemometric methods

You are searching for recent advanced chemometric methods to get better calibration models for NIR? Methods and algorithms like:
  • Artificial Neural Networks (ANN)
  • General Regression Neural Networks (GR-NN)
  • RBF Neural Networks (RBF-NN)
  • Support Vector Machines (SVM)
  • Multiway Partial Least Squares (MPLS),
  • Orthogonal PLS (OPLS), (O-PLS), OPLS-AA, OPLS-ANN
  • Hierarchical Kernel Partial Least Squares (HKPLS)
  • Random Forest (RF)
  • etc.
and data pre-processing methods like
  • Extended Multiplicative Signal Correction (EMSC)
  • Orthogonal Signal Correction (OSC)
  • Dynamic Orthogonal Projection (DOP)
  • Error Removal by Orthogonal Subtraction (EROS)
  • External Parameter Orthogonalization (EPO)
  • etc.
that are partly available as modules for software packages like Matlab, Octave, R-Project, etc. Why invest a lot of time and money with new tools? Have you tried it really hard to optimize your calibrations with standard chemometrics methods like Partial Least Squares (PLS), Principal Component Regression (PCR) and Multiple Linear Regression (MLR) which are available in all chemometric software packages? Are you sure you have tried all the good rules and optimization possibilities? Get it done right with the compatible standard methods, we are specialized in optimization and development of NIR calibrations, let us help you, give us a try!