Spectroscopy and Chemometrics News #01-#10 2018


Check out Applied Spectroscopy’s special issue on chemometrics! (2018.03.10) LINK

“Development and Validation of a New Methodology to Assess the Vineyard Water Status by On-the-Go Near Infrared Spe… (2018.02.27) LINK

“Outliers, Part II: Pitfalls in Detecting Outliers” (2018.02.22) LINK

Identification of ground meat species using near-infrared spectroscopy and class modeling techniques – Aspects o… (2018.01.31) LINK

“Combining Broadband Spectra and MachineLearning to Derive Material Properties” – Steve Buckley (2018.01.31) LINK

Near Infrared

“Near-Infrared Spectroscopic Study of Chlorite Minerals” (2018.02.27) LINK

“Comparison of Methods for Estimating Mechanical Properties of Wood by NIR Spectroscopy” | NIRS (2018.02.25) LINK

“Verification of Pharmaceutical Raw Materials Using FT-NIR Spectroscopy” | FTNIR (2018.02.19) LINK

“The scanner claims to help stylists determine natural hair color & health through the use of near-infrared and vi… (2018.02.05) LINK

Near-infrared reflectance spectroscopy (NIRS) calibrations for assessment of oil, phenols, glucosinolates and fat… (2018.02.02) LINK

This is how I choose avocados for dinner – see a video of our new VNIR hyperspectral sensor demo in action! https://t.… (2018.02.02) LINK!

Near infrared chemical analysis technique is a small piece of a big cake a large part of study known as spectroscopy.… (2018.01.09) LINK!

mRMR-based wavelength selection for NIRS quantitative detection of Chinese yellow wine (2018.01.09) LINK

Saturn’s north polar hexagon in near-infrared, February 13 2017. Processed using data – (2018.01.08) LINK!


Research on the Effects of Drying Temperature on Nitrogen Detection of Different Soil Types by Near Infrared… (2018.02.02) LINK

Application of Near Infrared Reflectance Spectroscopy for Rapid and Non-Destructive Discrimination of Hulled Barl… (2018.01.09) LINK


Press Release – Imec demonstrates Shortwave Infrared (SWIR) range hyperspectral imaging camera | http… (2018.02.02) LINK


A micro-spectrometer fit for a smartphone: Could the power to measure things like CO2, food freshness, and blood su… (2018.02.25) LINK

TactiScan – unforeseen safety, efficiency and accuracy for detecting illicit narcotics. Visit TactiScan’s website for… (2018.02.22) LINK!

Ocean Optics () partners with Pyreos () on mid-IR spectroscopy solutions; laserfocusworld; see… (2018.02.08) LINK!

Ibsen ( ) Launches new Compact Spectrometer with Improved Resolution and 4096 Pixels (2018.02.02) LINK

Light Sensors: The Absorption Spectrometer, LIDAR, and Thermal Cameras on Display at CES 2018 (2018.02.02) LINK

more PIXELS … “Spectroscopy: The full spectrum” (2018.02.02) LINK

Process Control

Development of NIR-Spectroscopy-based Process Monitoring Methodology for Pharmaceutical Continuous Manufacturing … (2017.08.18) LINK


Nonlinear Regression with High-Dimensional Space Mapping for Blood Component Spectral Quantitative Analysis (2018.02.02) LINK


Where Agriculture and Blockchain Could Meet (2018.02.02) LINK

Food & Feed

Rapid Determination of Active Compounds and Antioxidant Activity of Okra Seeds Using Fourier Transform Near Infrare… (2018.03.03) LINK

Fascinating read: Using spectroscopy to detect if milk is really grass-fed. One way to validate NZ’s high-value food? The bes… (2018.02.08) LINK!

“How To Detect Coffee Fraud By Quantifying Robusta In Arabica Coffee Blends” – (2018.02.08) LINK

Measuring protein in semolina flour and durum wheat using Near Infrared Spectroscopy – Near Infrared Spectroscopy m… (2018.01.09) LINK


“Near-infrared spectroscopy detects age-related differences in skeletal muscle oxidative function: promising imp… (2018.02.08) LINK


These are the best countries and cities for attracting and developing talent | work (2018.02.14) LINK

ESA’s first launch of 2018 goes up tomorrow from China – it’s only the size of a cereal box but equipped with micro-propulsio… (2018.02.02) LINK!

Hi, I’m a chemistry prof who loves over-the-top makeup. I’m teaching spectroscopy today, so seemed appropriate. Colors… (2018.02.02) LINK!

Spectroscopy and Chemometrics News Weekly #19+20, 2017


Spectroscopy and Chemometrics News Weekly 17-18, 2017 | Molecular Spectroscopy NIRS Chemometrics Software Raman LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 17-18, 2017 | NIRS Spektroskopie Chemometrie pharma space LINK

Spettroscopia e Chemiometria Weekly News 17-18, 2017 | NIRS Spettroscopia Chemiometria predizione spettrometro LINK


Making sense of principal component analysis, eigenvectors & eigenvalues | eigenvector eigenvalue LINK

“Tutorial: Items to be included in a report on a near infrared spectroscopy project” | reporting validation LINK

“Chemometric aided NIR portable instrument for rapid assessment of medicine quality.” LINK

Near Infrared

The potential of near infrared spectroscopy (NIRS) to measure the chemical composition of aquaculture solid waste LINK


Miniature Spatial Heterodyne Raman Spectrometer with a Cell Phone Camera Detector LINK


Shortwave Infrared Imaging Spectroscopy for Analysis of Ancient Paintings LINK


ICAVS 2017: 9th International Conference on Advanced Vibrational Spectroscopy June 11–16, 2017, Victoria, BC, Canada LINK

Spectroscopy and Chemometrics News Weekly #44+45, 2016

Chemometrics (Data Analysis)

NIRS wavelength range & calibration algorithms on prediction of crushing strength of pharmaceutical tablets LINK

“The chemometrics revolution re‐examined” | DataAnalysis PredictiveAnalytics LINK

Chemical Variability and Calibration Algorithms on Prediction of Solid Fraction of RCR Using NIR Spectroscopy LINK

Near Infrared (NIR, NIRS)

Exploring process dynamics by near infrared spectroscopy in lactic fermentations | fermentation via LINK

Modular open hardware for Near Infrared Spectroscopy fNIRS via LINK

NIR spectroscopy is a new accurate & fast method of solid waste characterization anaerobicdigestion LINK

Specim announces the world’s smallest and fastest NIR hyperspectral camera for industry hyperspectralcamera | NIRS LINK

Assessing wine sensory attributes using Vis/NIR | NIRS via LINK

Osram presents first broadband infrared LED – Compound Semiconductor | NIRspectroscopy NIRS via LINK

“Advancements in Feed Analysis by NIR Set to Deliver Greater Benefits to Feed Formulation” | NIRS FeedAnalysis ag LINK

“Real time monitoring under harsh conditions” – New Food (blog) | sensor VisNIR sugarcontent contamination LINK

SCiO: Instant Animal Feed Analysis | IoT tech NIRS sensor via LINK


Classification of individual cotton seeds with respect to variety using near-infrared hyperspectral imaging LINK


Molecular Spectroscopy Market Size, Analysis, and Forecast Report 2015-2025 | Spectroscopy via LINK


THE FUTURE OF DATA ANALYSIS – Eduard Tufte | DataAnalysis MachineLearning DataScience LINK


Advertise Your NIR Spectrometer With Us! Reach your target audience We offer Banner advertising | … LINK

Spectroscopy and Chemometrics News Weekly 43, 2016 | NIRS Raman Spectroscopy LINK

Spektroskopie und Chemometrie Neuigkeiten Wöchentlich 43, 2016 | NIRS Spektroskopie Chemometrie news LINK

Spettroscopia e Chemiometria Weekly News 43, 2016 | NIRS Spettroscopia Chemiometria news LINK

How to develop near-infrared spectroscopy calibrations in the 21st Century?

The Problem

Calibration modeling is a complex and very important part of NIR spectroscopy, especially for quantitative analysis. If the model is badly designed the best instrument precision and highest data quality does not help getting good and robust measurement results. And NIR Spectroscopy requires periodically recalibration and validation.

How are NIR models built today?

In a typical usage in industry, a single person is responsible to develop the models (see survey). He or she uses a Chemometric software that has a click-and-wait working process to adjust all the possible settings for the used algorithms in dialogs and wait for calculations and graphics and then to think about the next modeling steps and the time is limited to do so. Do we expect to find the best use-able or optimal model that way? How to develop near-infrared spectroscopy calibrations in the 21st Century?

Our Solution

Why not put all the knowledge a good model builder is using into software and let the machines do the possibilities of calculations and presenting the result? Designing the software that way, that the domain knowledge is built-in, not just only the algorithms for machine learning and make it possible to scale the calculations to multi-core computers and up to cloud servers. Extend the Chemometric Software with the Domain Knowledge and make as much computer power available as needed.

As it was since the beginning

User  → Chemometric Software → one Computer → some results to choose from

==> User’s time needed to click-and-wait for creating results

Our Solution

User → (Domain Knowledge → automatized Chemometric Software) → many Computers → the best models

==> User’s time used to study the best models and reasoning about his product / process

Note that the “Domain Knowledge” here does perfectly support the User’s product and process knowledge to get the things done right and efficient.

Scaling at three layers

  • Knowledge : use the domain knowledge to drive the Chemometric Software
  • Chemometric Software : support many machine learning algorithms and data pre-processings and make it automatic
  • Computer : support multi-core calculations and scale it to the cloud

The hard part in doing this, is of course the aggregation of the needed domain knowledge and transform it into software. The Domain Knowledge for building Chemometric NIR Spectroscopic models is well known and it’s huge and spreads multiple disciplines. Knowledge-driven software for computing helps to find the gold needle in the haystacks. It’s all about scaling that makes it possible. See Proof of Concept.

New possibilities

  • NIR users can get help working more efficient and getting better models.
  • New types of applications for NIR can be discovered.
  • Evaluation of NIR Applications to replace conventional analytical methods.
  • Hopeless calibrations development efforts can be re-started.
  • Higher model accuracy and robustness can be delivered.
  • Automate the experimental data part of your application study.
  • Person independent optimization will show new solutions, because it’s not limited by a single mindset => combining all the aggregated knowledge and its combinations.
  • Software independent optimization will show new solutions, because none of vendor specific limitations and missing algorithms are present => combining all open available algorithms and there permutations.
  • Computing service is included.

Contact us for trial

Your NIR data is modeled by thousands of different useful calibration models and you get the best of them! That was not possible before in such a easy and fast way! See How it works