Skip to content

v0.4.0

Latest
Latest

Choose a tag to compare

View all tags
@chriswaudby chriswaudby released this 27 Apr 15:08
· 2 commits to main since this release
v0.4.0
95dd19f

v0.4.0

Non-breaking changes:

  • Added sample.components[].type field (null | "" | small molecule | peptide | protein | RNA | DNA | carbohydrate | other) to classify molecule type
  • Added 19F isotopic labelling option: 19F
  • Expanded buffer.solvent enum with common NMR solvents: 5% D2O, CD2Cl2, CD3CN, C6D6, D6-acetone, D5-pyridine, D8-toluene, D8-THF, D12-cyclohexane, D3-TFA

Infrastructure:

  • Added unit tests for Python, Julia, and JavaScript conversion scripts (CI via GitHub Actions)
  • Added MATLAB tests for local runs
  • Fixed wildcard set operations materialising spurious empty-dict intermediates when the parent array was absent
Assets 2
Loading