MannLabs / alphadia

modular & open DIA search
https://alphadia.readthedocs.io
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Multiplex spectral library #292

Closed GeorgWa closed 2 months ago

GeorgWa commented 3 months ago

Allow automated multiplexing of spectral library from the config.yaml using a config:

# perform non-isobaric multiplexing of any input library
library_multiplexing:
  # if true, the library is multiplexed
  enabled: False

  # define channels by their name and how modifications should be translated from the input library to the multiplexed library
  multiplex_mapping:
    0:
      mTRAQ@K: mTRAQ@K
      mTRAQ@Any_N-term: mTRAQ@Any_N-term

    4:
      mTRAQ@K: mTRAQ:13C(3)15N(1)@K
      mTRAQ@Any_N-term: mTRAQ:13C(3)15N(1)@Any_N-term

    8:
      mTRAQ@K: mTRAQ:13C(6)15N(2)@K
      mTRAQ@Any_N-term: mTRAQ:13C(6)15N(2)@Any_N-term

    12:
      mTRAQ@K: mTRAQ:d12@K
      mTRAQ@Any_N-term: mTRAQ:d12@Any_N-term