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changelog.md

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2022-10-13

  • fixed bug in linked groups
  • changed output path of worklist.fit to ~/worklist.name
  • fixed bug in plotting of fit
  • improved plotting overall
  • added reference to sample.__repr__()
  • refactoring of mass_step
  • added plot option "mass_steps"

2022-10-06

  • update README
  • update Worklist.__add__()

2022-10-05

  • minor bugfixes regarding Worklist.save and Sample.fit
  • updated README

2022-10-04

  • fixed bug introduced by the use of pathlib.Path
  • cleaned up settings.ini
  • fixed encoding error

2022-09-28

  • improved download of supplementary data

2022-09-26

  • added changelog
  • added Sample.raw to access raw-data
  • removed chemical formulas from settings -> use of chempy.Substance.latex_name
  • added Sample.baseline to access baseline-data
  • deleted old IO-functions
  • updated paths to use Path from pathlib