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fit_pls(): Fixed the join of predicted vs. measured values when choosing
evaluation with cross-validation; now predictions and model evaluation
statistics are reported at best ncomp. Instead of an dplyr::inner_join(),
all cross-validated predictions were done with dplyr::anti_join(),
specifically when using evaluation_method == "resampling" together with tuning_method == "resampling". This resulted in predictions incorrectly
being aggregated for all tested but not best ncomp (calculated in caret).
Thus, also the cross-validation metrics were not correctly reported what
should have been the case at optimal ncomp derived based on resampling and
model tuning. The fix now correctly does an inner join, so that only the
values at best ncomp are extracted and used for the evaluation statistics.
This is also shown on the resulting plot outputs.
simplerspec 0.2.0
Add new example data set soilspec_yamsys.
gather_spc(): Consolidate the documentation with details on how data are matched from list and gathered into a spectra tibble.