Spectral similarity calculation method

Abstract

The invention provides a spectral similarity calculation method which can comprehensively evaluate the similarity between a sampling spectrum and a standard spectrum so as not only to reflect the similarity of the common peaks between a to-be-evaluated sampling spectrum and a standard spectrum, but also to consider the influence of the common peak number on the magnitude of the similarity and reflect the similarity degree between the spectrums generally. The similarity degree can sensitively reflect the differences of the sampling spectrum and the standard spectrum in quantity and quality. Therefore, the to-be-evaluated sample could be evaluated reliably.

Description

technical field [0001] The invention relates to spectrograms, in particular to a method for calculating the similarity of spectrograms. Background technique [0002] The matching and comparison of spectra has a wide range of applications in biomedicine, chemistry, physics and other fields. [0003] In the bacterial identification of blood bacterial infection (bacteremia), the diagnosis of infection is difficult due to the atypical clinical manifestations of patients. At present, the gold standard for clinical diagnosis of bacteremia is blood bacterial culture, but the positive rate of blood culture is extremely low, which leads to delay in treatment. In contrast, mass spectrometry has high accuracy, good stability, simple operation, and easy clinical promotion. Since the 1990s, matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI-TOF-MS) has been used for bacterial identification [R.D. Holland, J.G. Wilkes, F. Rafii, J.B. Sutherland, C.C. Per...

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Problems solved by technology

[S. Kim, X. Zhang, Computational & Mathematical Methods in Medicine 2013, 9, 399-412] However, the sensitivity of the existing spectral similarity scoring method is not high, resulting in insufficient reliability of spectral identification

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