Using the Purity Score To Assess a Match to My Library Search Results in SCIEX OS Software


日付: 04/23/2019
カテゴリー: SCIEX OS

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For research use only. Not for use in diagnostic procedures.


Answer

All peaks from both the unknown and library spectra are used to calculate the Purity Score, which is used to assess how well a compound matches an existing library compound.

A high value indicates a high probability that the unknown spectrum has been correctly identified and does not contain peaks from additional compounds at a significant amount.

A lower value indicates that the match is less certain or additional fragment ion peaks from another compound are present in the unknown spectrum.

A purity score of 100 indicates all major peaks are present in both unknown and library spectra.
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