biocore / q2-qemistree

Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".
BSD 2-Clause "Simplified" License
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Feature data #112

Closed anupriyatripathi closed 4 years ago

anupriyatripathi commented 4 years ago

Addresses #110 by renaming feature data headers as follows:

  1. "ms2_compound" to "ms2_library_match"
  2. "annotation_type" to "structure_source"

2 is important because sometimes GNPS gives a compound name but the corresponding structure is not in the database. In this case, it is still an 'annotation' but the structure that is used by Classyfire comes from CSI:FingerID