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Stable release including H/UPLC data technique

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@schenkch schenkch released this 30 Oct 21:17
· 544 commits to master since this release
3e732df
  • Includes new feature to exclude the C-Z term and only perform parameter estimation using the measurement error. 2 new examples show how to do this and including confidences with k_aug
  • Also a new requirements.txt file that should be good across Python 2.7 and Python 3.5 and up
  • A new KIPET documentation via readthedocs to make it easier to collaborate and host and also to adhere to Python package standards
  • Contains the new variance estimation techniques with new examples.
  • Includes some new tools to analyze the pseudo-equivalency matrix, although these tools will still be improved to be more general.
  • Addition of option to take H/UPLC data with just liquids or liquids and solids into account
  • Addition of option for quadratic penalty term for penalizing values deviating from the defined optimal parameter values in the objective of the parameter estimation problem
  • Addition of option to read values for mutable parameter from file, interpolate and use in the modeling context
  • Addition of option to write eigenvalues of reduced Hessian automatically to a file
  • Fixed bugs and other small enhancements