Spectrometric analysis
地域：
Wilmslow
摘要
A method of spectrometric analysis comprises obtaining one or more sample spectra for a sample. The one or more sample spectra are subjected to pre-processing and then multivariate and/or library based analysis so as to classify the sample. The pre-processing involves deisotoping the sample spectra.
說明書
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where μi and Di are, respectively, the library median values and deviation values for channel i. The likelihoods Ls may be calculated as log likelihoods for numerical safety.
The likelihoods Ls are then normalised over all candidate classes ‘s’ to give probabilities, assuming a uniform prior probability over the classes. The resulting probability for the class {tilde over (s)} is given by:
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