1. 19 Oct, 2021 1 commit
    • Emma Schymanski's avatar
      Update Transformations data · de62cea2
      Emma Schymanski authored
      ... ran Transformations.R to update stats and files. TODO: two new entries in MassDiffs_ge5_wAnnotation that need annotating.
      de62cea2
  2. 08 Oct, 2021 2 commits
  3. 04 Oct, 2021 1 commit
    • Emma Schymanski's avatar
      Create S74_REFTPS_MSMS.csv · 0f640b3c
      Emma Schymanski authored
      added MSMS mapping for Jeff (easier than trying to map from inline REFTPS file). Header can be used as fields by replacing "_" with a space.
      0f640b3c
  4. 02 Oct, 2021 4 commits
  5. 29 Sep, 2021 1 commit
  6. 28 Sep, 2021 1 commit
  7. 24 Sep, 2021 2 commits
  8. 21 Sep, 2021 4 commits
  9. 14 Sep, 2021 2 commits
  10. 11 Sep, 2021 2 commits
  11. 10 Sep, 2021 2 commits
  12. 07 Sep, 2021 1 commit
  13. 02 Sep, 2021 8 commits
  14. 29 Jul, 2021 1 commit
    • Emma Schymanski's avatar
      Updated S69 · 86be6a00
      Emma Schymanski authored
      ...new pesticide TP permission information (NA = not applicable instead of FALSE for several entries)
      86be6a00
  15. 27 Jul, 2021 1 commit
    • Emma Schymanski's avatar
      added MBEU scripts · 68f295a2
      Emma Schymanski authored
      Added script to create files for PubChem, plus associated SMILES badlist. Deposited necessary files on Zenodo and added mapping file. Moved out-of-date files to archive and Zenodo.
      68f295a2
  16. 24 Jul, 2021 1 commit
  17. 22 Jul, 2021 3 commits
  18. 12 Jul, 2021 1 commit
  19. 09 Jul, 2021 2 commits