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Interactive analysis of mass spectrometry data

  • US 10,199,206 B2
  • Filed: 05/01/2017
  • Issued: 02/05/2019
  • Est. Priority Date: 06/16/2014
  • Status: Active Grant
First Claim
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1. A non-transitory machine-readable medium that stores instructions, which, when performed by a machine, cause the machine to perform operations comprising:

  • receiving a data file comprising mass spectrometry (MS) data for a sample comprising a reference molecule and one or more variant molecules, wherein each variant molecule has a chemical modification relative to the reference molecule;

    providing an assembly of molecular identifications, wherein each molecular identification correlates a spectral representation with the reference molecule and a modification state for a variant molecule relative to the reference molecule;

    selecting a molecular identification based on user-input; and

    simultaneously and interactively displaying a first arrangement of a plurality of spectral representations, wherein a first spectral representation of the first arrangement is correlated to the selected molecular identification and a second spectral representation of the first arrangement is correlated to a first molecular identification having the same reference molecule but different modification state;

    wherein a user selection or modification in the first spectral representation is automatically made in the second spectral representation and a user selection or modification in the second spectral representation is automatically made in the first spectral representation.

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