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aitomic documentation
aitomic documentation

Contents:

  • NOMAD NMR
    • aitomic.nomad_nmr.add_metadata
    • aitomic.nomad_nmr.AuthToken
    • aitomic.nomad_nmr.AutoExperiment
    • aitomic.nomad_nmr.AutoExperimentQuery
    • aitomic.nomad_nmr.AutoExperiments
    • aitomic.nomad_nmr.Client
    • aitomic.nomad_nmr.Group
    • aitomic.nomad_nmr.Groups
    • aitomic.nomad_nmr.User
    • aitomic.nomad_nmr.Users
  • Modules
    • aitomic
      • aitomic.bruker
        • aitomic.bruker.nmr_peaks_df_1d
      • aitomic.nomad_nmr
        • aitomic.nomad_nmr.add_metadata
        • aitomic.nomad_nmr.AuthToken
        • aitomic.nomad_nmr.AutoExperiment
        • aitomic.nomad_nmr.AutoExperimentQuery
        • aitomic.nomad_nmr.AutoExperiments
        • aitomic.nomad_nmr.Client
        • aitomic.nomad_nmr.Group
        • aitomic.nomad_nmr.Groups
        • aitomic.nomad_nmr.User
        • aitomic.nomad_nmr.Users
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aitomic.brukerΒΆ

Tools to interact with Bruker NMR data.

Examples

  • Getting an NMR peak data frame

Functions

nmr_peaks_df_1d

Exctact peaks from a zip of multiple Bruker NMR spectra.
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aitomic.bruker.nmr_peaks_df_1d
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