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improvements to assessing curve fit (r2 and rmsd) #57

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merged 4 commits into from
Mar 25, 2024
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@jbloom jbloom commented Mar 25, 2024

Improvements to metrics for assessing curve fit (see here):

  • The coefficient of determination (r2) now is one if all points are fit by a straight line, rather than engative infinity.
  • A root-mean-square-deviation (square root of mean residual) is now calculated as the rmsd attribute of HillCurve objects and reported in fit parameter summaries from CurveFits.

Add `HillCurve.rmsd` and fix calculation for `HillCurve.r2` in the edge
case when there is no variation in the data.
@jbloom jbloom merged commit bc76d62 into master Mar 25, 2024
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@jbloom jbloom deleted the 55-r2-when-no-neut branch March 25, 2024 00:22
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R2 values of -inf when no neutralization is observed (i.e. a flat line at 1)
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