Scalable calibration transfer without standards via dynamic time warping for near-infrared spectroscopy

2019 ◽  
Vol 11 (35) ◽  
pp. 4481-4493 ◽  
Author(s):  
Congming Zou ◽  
Huimin Zhu ◽  
Junru Shen ◽  
Yue He ◽  
Jiaen Su ◽  
...  

A standard-free calibration transfer method has been developed for NIR spectroscopy based on variable penalty dynamic time warping.

2000 ◽  
Vol 8 (2) ◽  
pp. 101-107 ◽  
Author(s):  
Peter Tillmann ◽  
Tilli-Charlotte Reinhardt ◽  
Christian Paul

A comparison of several procedures to establish a network of near infrared (NIR) spectroscopy instruments for analytical applications with rapeseed [moisture, protein, oil, glucosinolates (GSL), oleic acid (C18:1)] is presented. The procedures are (a) calibration transfer with bias adjustment, (b) standardisation with different products and different number of samples, (c) calibration with spectra of different instruments and (d) the use of a repeatability file for minimising instrument differences. The most successful procedure proved to be the use of a repeatability file of spectra of the network instruments after standardisation using rapeseed samples. Following this procedure the standard deviation of analyses in a network could be reduced by 50–66% compared to a direct calibration transfer. Calibrations for constituents with high absorptivity (e.g. moisture) could be transferred directly without a bias correction, while those for constituents with a low absorptivity (e.g. GSL) had to be transferred using a repeatability file and standardised instruments.


Recycling ◽  
2021 ◽  
Vol 6 (1) ◽  
pp. 11
Author(s):  
Kirsti Cura ◽  
Niko Rintala ◽  
Taina Kamppuri ◽  
Eetta Saarimäki ◽  
Pirjo Heikkilä

In order to add value to recycled textile material and to guarantee that the input material for recycling processes is of adequate quality, it is essential to be able to accurately recognise and sort items according to their material content. Therefore, there is a need for an economically viable and effective way to recognise and sort textile materials. Automated recognition and sorting lines provide a method for ensuring better quality of the fractions being recycled and thus enhance the availability of such fractions for recycling. The aim of this study was to deepen the understanding of NIR spectroscopy technology in the recognition of textile materials by studying the effects of structural fabric properties on the recognition. The identified properties of fabrics that led non-matching recognition were coating and finishing that lead different recognition of the material depending on the side facing the NIR analyser. In addition, very thin fabrics allowed NIRS to penetrate through the fabric and resulted in the non-matching recognition. Additionally, ageing was found to cause such chemical changes, especially in the spectra of cotton, that hampered the recognition.


2011 ◽  
Vol 301-303 ◽  
pp. 1093-1097 ◽  
Author(s):  
Shi Rong Ai ◽  
Rui Mei Wu ◽  
Lin Yuan Yan ◽  
Yan Hong Wu

This study attempted the feasibility to determine the ratio of tea polyphenols to amino acids in green tea infusion using near infrared (NIR) spectroscopy combined with synergy interval PLS (siPLS) algorithms. First, SNV was used to preprocess the original spectra of tea infusion; then, siPLS was used to select the efficient spectra regions from the preprocessed spectra. Experimental results showed that the spectra regions [7 8 18] were selected, which were out of the strong absorption of H2O. The optimal PLS model was developed with the selected regions when 6 PCs components were contained. The RMSEP value was equal to 0.316 and the correlation coefficient (R) was equal to 0.8727 in prediction set. The results demonstrated that NIR can be successfully used to determinate the ration of tea polyphenols to amino acids in green tea infusion.


2019 ◽  
Vol 27 (4) ◽  
pp. 286-292
Author(s):  
Chongchong She ◽  
Min Li ◽  
Yunhui Hou ◽  
Lizhen Chen ◽  
Jianlong Wang ◽  
...  

The solidification point is a key quality parameter for 2,4,6-trinitrotoluene (TNT). The traditional solidification point measurement method of TNT is complicated, dangerous, not environmentally friendly and time-consuming. Near infrared spectroscopy (NIR) analysis technology has been applied successfully in the chemical, petroleum, food, and agriculture sectors owing to its characteristics of fast analysis, no damage to the sample and online application. The purpose of this study was to study near infrared spectroscopy combined with chemometric methods to develop a fast and accurate quantitative analysis method for the solidification point of TNT. The model constructed using PLS regression was successful in predicting the solidification point of TNT ([Formula: see text] = 0.999, RMSECV = 0.19, RPDCa = 33.5, [Formula: see text] = 0.19, [Formula: see text] = 0.999). Principal component analysis shows that the model could identify samples from different reactors. The results clearly demonstrate that the solidification point can be measured in a short time by NIR spectroscopy without any pretreatment for the sample and skilled laboratory personnel.


NIR news ◽  
2018 ◽  
Vol 29 (5) ◽  
pp. 7-11
Author(s):  
Peter Flinn

Anthony Bernard (Tony) Blakeney (1948–2015) made a unique contribution to near infrared (NIR) spectroscopy in Australia and to the development of the Australian Near Infrared Spectroscopy Group (ANISG). An eminent and highly cited grain scientist and carbohydrate chemist, in the 1980s he recognised that NIR-based analyses could aid the production of more and higher quality cereals. Tony was ANISG Treasurer from its inception in 1988 until 2015 and was recognised as a champion of learned societies and their importance in scientific development. This presentation is in honour of Tony’s achievements, and it is a great honour to receive the inaugural award in his name.


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