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v0.3.1

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@kmdalton kmdalton released this 27 Jun 21:49
· 86 commits to main since this release
46fa04d

This release

  • More automated detection of uncertainty estimates in unmerged mtz files
  • Better handling of systematic absences under changes in space group for the double Wilson prior
  • Add a file ID column to the data available at the merging API level
  • Add the first and second moments of $\Sigma$ (scale factor) to the predictions
  • Refactor the stats module and make the interface more uniform
  • Add a couple new scripts to help with b-factor issues