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Load Bruker AMIX Peaklist Files

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Each Peaklist file is loaded and parsed such that one output row of the table contains the peaklist for 1 spectrum. Files may be a mix of 1D and 2D spectra

The output table contains:

  • The single spectrum peaklist file - ie the portion of the input file for a single spectrum
  • Title - Assigned by AMIX, not the spectrum title
  • Date - The date the peaklist was exported from AMIX, not the date the spectrum was obtained
  • User - The user on the machine AMIX was running on, not the user acquiring the spectrum
  • Host - The machine AMIX was running on, not the spectrometer
  • Spectrum - the path to the spectrum data loaded to AMIX
  • w1 - A list of the w1 frequencies ('w' in the case of 1D spectra are in this column)
  • w2 - A list of the w2 frequencies, for 2D spectra, or missing values
  • Intensity - A list of the peak intensities
  • Volume - A list of the peak volumes
  • Annotation - A list of the peak annotations (If there are no annotations, this will contain a missing value cell)

The lists can be correctly resolved using an Ungroup node

This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com

Node details

Input ports
  1. Type: Flow Variable
    Flow variables
    Optional flow variables containing file path(s)
Output ports
  1. Type: Table
    AMIX Peaks list
    Parsed content of the loaded files

Extension

The Load Bruker AMIX Peaklist Files node is part of this extension:

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Related workflows & nodes

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