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Fig. 6 | Journal of Cheminformatics

Fig. 6

From: Automated fragment formula annotation for electron ionisation, high resolution mass spectrometry: application to atmospheric measurements of halocarbons

Fig. 6

Training set: distribution of likelihood values of fragments (left) and maximal fragments (right). A likelihood value of 100 indicates that the chemical formula of the fragment or maximal fragment is highly likely. Blue: distribution for correctly identified fragments/maximal fragments. Red: distribution for wrongly identified fragments/maximal fragments. In total, there were 353 reconstructed fragments, 343 correct and 10 wrong, and 50 maximal fragments, 44 correct and 6 wrong. Above a likelihood value of 20, >95% of the fragments are correct, and >90% of the maximal fragments

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