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npvis's Issues

Support simultaneous processing of multiple spectra and/or compounds

Currently, NPvis is designed for handling a single compound-spectrum match. However, the NPvis use case scenarios might include

  1. Evaluating multiple candidate annotations for an MS/MS spectrum
  2. Selecting the best spectrum per compound among several tentative identifications

Now, this could be done via multiple runs of NPvis but we should think of a more user-friendly implementation.

Provide MS/MS quantitative estimation

If a spectra file or a spectral dataset is provided (rather than a single spectrum scan), NPvis can perform a quantitative estimation of the identified compound (i.e. counting the MS/MS spectra via ad hoc or third-party software). The results can be reported as an additional metadata field in the top panel.

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