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v0.6.0

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@MatthewThe MatthewThe released this 08 Mar 15:13
· 39 commits to master since this release
  • Add cache folder option to reuse previously generated results from a different SIMSI run (#27)
  • Memory and runtime optimizations (#26)
  • Hotfix for NaN handling in evidence assembly
  • Added "Potential contaminant" column in SIMSI output based on the "Proteins" column
  • Added sorting step to prevent rare event of incorrect probability strings
  • Added validation option for mzml conversion
  • Improved raw file converter interface
  • Removing importlib dependency from poetry
  • Improved SIMSI version retrieval for logger
  • Added sorting of raw files to prevent downstream problems