Spectral similarity calculation method

A technology of similarity calculation and calculation method, applied in the calculation field of spectral similarity, can solve the problems of low sensitivity and insufficient reliability of spectral identification, and achieve the effect of reliable identification

Active Publication Date: 2017-05-10
CHUAN-MING (NINGBO) CHEM SCITECH CO LTD
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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 e

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Embodiment Construction

[0030] The present invention will be further described below in conjunction with embodiment.

[0031] Taking the experimental spectrum of Basillus subtilis ATCC 6633 bacteria as an example, we built a bacterial mass spectrum analysis program using R language and C language according to the above formula. After uploading an experimental spectrum, the algorithm program will compare it with all reference spectra in the database The similarity comparisons are carried out one by one, and the database retrieval results are sorted according to the Eu and iEu scores.

[0032] Table 1 is the database search results based on the relative Euclidean distance method for this sample. The names of the strains corresponding to the five reference spectra with the highest similarity to the experimental spectra in the database and the corresponding similarity scores are listed according to the similarity score from high to low. .

[0033] Table 2 is the database retrieval result of the sample b...

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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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Application Information

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IPC IPC(8): G06K9/62G06F17/30
CPCG06F16/9024G06F16/903G06F18/22
Inventor 乔振刚
Owner CHUAN-MING (NINGBO) CHEM SCITECH CO LTD
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