Reordered (Sorted) Spectra. A Tool for Understanding Pattern Recognition Entropy (PRE) and Spectra in General

Autor:	Matthew R. Linford, Shiladitya Chatterjee
Rok vydání:	2018
Předmět:	Chemistry business.industry 010401 analytical chemistry Pattern recognition 02 engineering and technology General Chemistry 021001 nanoscience & nanotechnology Mass spectrometry 01 natural sciences Spectral line 0104 chemical sciences Artificial intelligence 0210 nano-technology business
Zdroj:	Bulletin of the Chemical Society of Japan. 91:824-828
ISSN:	1348-0634 0009-2673
Popis:	Pattern Recognition Entropy (PRE) is a summary statistic for comparing and understanding spectra. Here we introduce the concept of the ‘reordered spectrum’ in the context of PRE as an intuitive, visual representation of spectra. The shapes of reordered (sorted) spectra correlate with their PRE values and help explain them. We illustrate these concepts with liquid chromatography-mass spectrometry (LC-MS), time-of-flight secondary ion mass spectrometry (ToF-SIMS), and X-ray photoelectron spectroscopy (XPS) spectra. Reordered spectra should have value beyond PRE for comparing and understanding spectra.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::10d67cb66e724782ccad08aa127b285a https://doi.org/10.1246/bcsj.20180027 Zobrazit plný text záznamu