{"title":"通过减少采样点数量加快宏观拉曼绘图速度","authors":"Peter Vandenabeele","doi":"10.1002/jrs.6720","DOIUrl":null,"url":null,"abstract":"<p>Macro-Raman mapping is an approach that allows to obtain high-resolution molecular maps of artefacts, over an area of several square centimetres. The method is based on recording thousands of spectra in a grid. The main drawback of this method is that it is very time consuming. A straightforward approach to reduce the measurement time is achieved by reducing the number of points that are measured. Not all points of the map are equally informative: Pixels that are surrounded by similar points might be less interesting to measure. Therefore, an algorithm is proposed to select where to measure and which points to omit. The missing pixels can be filled in a posteriori, by using a suitable interpolation algorithm. The selection of the omitted pixels can be performed based on information that is available from other analytical techniques. In this case, a selection was made based on the local variances in a colour picture. The approach is evaluated by recording macro-Raman maps of details of a Neptune watercolour painting on paper. In a first stage, the Raman intensities of the scaled and baseline corrected spectra at specific band positions were colour coded and plotted as Raman maps. The interpolation of the Raman maps yielded satisfying results. The image outline could clearly be identified in the maps, and the differently coloured zones were distinguished. Next to this univariate approach, it was demonstrated that also a multivariate data extraction method (principal component analysis) is compatible with the proposed algorithm to measure 25% less datapoints.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 11","pages":"1199-1209"},"PeriodicalIF":2.4000,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Speeding up macro-Raman mapping by reducing the number of sampling points\",\"authors\":\"Peter Vandenabeele\",\"doi\":\"10.1002/jrs.6720\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>Macro-Raman mapping is an approach that allows to obtain high-resolution molecular maps of artefacts, over an area of several square centimetres. The method is based on recording thousands of spectra in a grid. The main drawback of this method is that it is very time consuming. A straightforward approach to reduce the measurement time is achieved by reducing the number of points that are measured. Not all points of the map are equally informative: Pixels that are surrounded by similar points might be less interesting to measure. Therefore, an algorithm is proposed to select where to measure and which points to omit. The missing pixels can be filled in a posteriori, by using a suitable interpolation algorithm. The selection of the omitted pixels can be performed based on information that is available from other analytical techniques. In this case, a selection was made based on the local variances in a colour picture. The approach is evaluated by recording macro-Raman maps of details of a Neptune watercolour painting on paper. In a first stage, the Raman intensities of the scaled and baseline corrected spectra at specific band positions were colour coded and plotted as Raman maps. The interpolation of the Raman maps yielded satisfying results. The image outline could clearly be identified in the maps, and the differently coloured zones were distinguished. Next to this univariate approach, it was demonstrated that also a multivariate data extraction method (principal component analysis) is compatible with the proposed algorithm to measure 25% less datapoints.</p>\",\"PeriodicalId\":16926,\"journal\":{\"name\":\"Journal of Raman Spectroscopy\",\"volume\":\"55 11\",\"pages\":\"1199-1209\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2024-07-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Raman Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6720\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Raman Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jrs.6720","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
Speeding up macro-Raman mapping by reducing the number of sampling points
Macro-Raman mapping is an approach that allows to obtain high-resolution molecular maps of artefacts, over an area of several square centimetres. The method is based on recording thousands of spectra in a grid. The main drawback of this method is that it is very time consuming. A straightforward approach to reduce the measurement time is achieved by reducing the number of points that are measured. Not all points of the map are equally informative: Pixels that are surrounded by similar points might be less interesting to measure. Therefore, an algorithm is proposed to select where to measure and which points to omit. The missing pixels can be filled in a posteriori, by using a suitable interpolation algorithm. The selection of the omitted pixels can be performed based on information that is available from other analytical techniques. In this case, a selection was made based on the local variances in a colour picture. The approach is evaluated by recording macro-Raman maps of details of a Neptune watercolour painting on paper. In a first stage, the Raman intensities of the scaled and baseline corrected spectra at specific band positions were colour coded and plotted as Raman maps. The interpolation of the Raman maps yielded satisfying results. The image outline could clearly be identified in the maps, and the differently coloured zones were distinguished. Next to this univariate approach, it was demonstrated that also a multivariate data extraction method (principal component analysis) is compatible with the proposed algorithm to measure 25% less datapoints.
期刊介绍:
The Journal of Raman Spectroscopy is an international journal dedicated to the publication of original research at the cutting edge of all areas of science and technology related to Raman spectroscopy. The journal seeks to be the central forum for documenting the evolution of the broadly-defined field of Raman spectroscopy that includes an increasing number of rapidly developing techniques and an ever-widening array of interdisciplinary applications.
Such topics include time-resolved, coherent and non-linear Raman spectroscopies, nanostructure-based surface-enhanced and tip-enhanced Raman spectroscopies of molecules, resonance Raman to investigate the structure-function relationships and dynamics of biological molecules, linear and nonlinear Raman imaging and microscopy, biomedical applications of Raman, theoretical formalism and advances in quantum computational methodology of all forms of Raman scattering, Raman spectroscopy in archaeology and art, advances in remote Raman sensing and industrial applications, and Raman optical activity of all classes of chiral molecules.