Spectrum Annotation

Annotation

DeNovoGUI automatically annotates the a spectrum with the most likely ions given the spectrum and the peptide sequence identified. This includes the automatic selection of neutral losses.

However, the user can override the default annotation by selecting different ion types in the menu below the spectrum. Note that to change the neutral losses in the menu one first has to uncheck the Adapt option on the Loss menu.

To make sure that the same ion types are used for all spectra, the user can also turn of the automatic annotation completely by unchecking the Automatic Annotation option.


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Annotation Accuracy

In addition to deciding which ion types to use when annotating the spectrum, the user can also change the required accuracy of the annotations. This is done by changing the Fragment Ion Accuracy value in this dialog. Changing this value will decrease or increase the accuracy required to say that a given peak should be annotated.

Editing the Annotation Level value lets the user decide how many of the peaks DeNovoGUI should try to annotate. The level is set relative to the most intense peak, e.g., 80% means that only peaks with an intensity that is at least 80% of the most intense peak are considered. As the value is reduced, more and more of the low intensity peaks will be annotated.


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