{"title":"基于筛选一致波长和直接标准化算法的汽油辛烷值近红外校准转移","authors":"Wang Honghong, Yuan Hui, Xiong Zhixin","doi":"10.1177/09670335241232093","DOIUrl":null,"url":null,"abstract":"In order to share multivariate calibration models of gasoline research octane number (RON) between different near infrared spectrometers, a novel calibration transfer method, namely combination of screening consistent wavelengths and direct standardization (SWCSS-DS) was proposed. Firstly, screening wavelengths with consistent and stable signals (SWCSS) between instruments was used to select the wavelengths with best stability, and then direct standardization (DS) further corrected the systematic errors that still exist after the SWCSS was implemented. The spectra of 120 standard gasoline samples collected on two near infrared spectrometers of the same type were investigated in detail to verify the validity of the new algorithm. Compared results of other transfer methods such as SWCSS, Slope/Bias (S/B), direct standardisation (DS), and piecewise direct standardization (PDS), the root mean squared error for prediction (RMSEP) of SWCSS-DS algorithm for target samples was decreased from 5.75 to 0.295, and the Akaike information criterion (AIC) value decreased from 1516 to 640, which were better than those of the SWCSS, S/B, DS and PDS algorithms. Therefore, the joint algorithm of SWCSS-DS has not only improved the universality of the master model, but also reduced the dimension of the spectral matrix and calibration equation, that would provide a more efficient model transfer strategy for the practical applications.","PeriodicalId":16551,"journal":{"name":"Journal of Near Infrared Spectroscopy","volume":"23 1","pages":""},"PeriodicalIF":1.6000,"publicationDate":"2024-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Transfer of near infrared calibration for gasoline octane number based on screening consistent wavelengths combined with direct standardization algorithm\",\"authors\":\"Wang Honghong, Yuan Hui, Xiong Zhixin\",\"doi\":\"10.1177/09670335241232093\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In order to share multivariate calibration models of gasoline research octane number (RON) between different near infrared spectrometers, a novel calibration transfer method, namely combination of screening consistent wavelengths and direct standardization (SWCSS-DS) was proposed. Firstly, screening wavelengths with consistent and stable signals (SWCSS) between instruments was used to select the wavelengths with best stability, and then direct standardization (DS) further corrected the systematic errors that still exist after the SWCSS was implemented. The spectra of 120 standard gasoline samples collected on two near infrared spectrometers of the same type were investigated in detail to verify the validity of the new algorithm. Compared results of other transfer methods such as SWCSS, Slope/Bias (S/B), direct standardisation (DS), and piecewise direct standardization (PDS), the root mean squared error for prediction (RMSEP) of SWCSS-DS algorithm for target samples was decreased from 5.75 to 0.295, and the Akaike information criterion (AIC) value decreased from 1516 to 640, which were better than those of the SWCSS, S/B, DS and PDS algorithms. Therefore, the joint algorithm of SWCSS-DS has not only improved the universality of the master model, but also reduced the dimension of the spectral matrix and calibration equation, that would provide a more efficient model transfer strategy for the practical applications.\",\"PeriodicalId\":16551,\"journal\":{\"name\":\"Journal of Near Infrared Spectroscopy\",\"volume\":\"23 1\",\"pages\":\"\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2024-02-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Near Infrared Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1177/09670335241232093\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Near Infrared Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1177/09670335241232093","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
Transfer of near infrared calibration for gasoline octane number based on screening consistent wavelengths combined with direct standardization algorithm
In order to share multivariate calibration models of gasoline research octane number (RON) between different near infrared spectrometers, a novel calibration transfer method, namely combination of screening consistent wavelengths and direct standardization (SWCSS-DS) was proposed. Firstly, screening wavelengths with consistent and stable signals (SWCSS) between instruments was used to select the wavelengths with best stability, and then direct standardization (DS) further corrected the systematic errors that still exist after the SWCSS was implemented. The spectra of 120 standard gasoline samples collected on two near infrared spectrometers of the same type were investigated in detail to verify the validity of the new algorithm. Compared results of other transfer methods such as SWCSS, Slope/Bias (S/B), direct standardisation (DS), and piecewise direct standardization (PDS), the root mean squared error for prediction (RMSEP) of SWCSS-DS algorithm for target samples was decreased from 5.75 to 0.295, and the Akaike information criterion (AIC) value decreased from 1516 to 640, which were better than those of the SWCSS, S/B, DS and PDS algorithms. Therefore, the joint algorithm of SWCSS-DS has not only improved the universality of the master model, but also reduced the dimension of the spectral matrix and calibration equation, that would provide a more efficient model transfer strategy for the practical applications.
期刊介绍:
JNIRS — Journal of Near Infrared Spectroscopy is a peer reviewed journal, publishing original research papers, short communications, review articles and letters concerned with near infrared spectroscopy and technology, its application, new instrumentation and the use of chemometric and data handling techniques within NIR.