goodness of fit looks at both RMSD and R2

[jbloom]

• In process_plate_curvefit_qc in the YAML configuration, there is a new key called goodness_of_fit and now both min_R2 (the minimum coefficient of determination) and max_RMSD (the maximum mean square deviation) for each curve fit are specified as keys under that. The curves are then filtered to retain only those that meet either of these criteria (so must fail both to be dropped). Addresses this issue and this issue. Alongside this change, the rmsd is now reported in key output files. Also, in the tabulation of failures, fails_min_R2 now becomes fails_goodness_of_fit.

  • This is a backward-incompatible change in the configuration YAML. Previously min_R2 was a standalone key under process_plate_curvefit_qc; now goodness_of_fit is the required key and min_R2 and max_RMSD are required keys under it.

• Added another plate (of H3N2 rather than H1N1) to the test_example to test some of the changes introduced in this version.