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<!-- NEWS.md is maintained by https://cynkra.github.io/fledge, do not edit -->
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# simplerspec 0.2.1
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- `fit_pls()`: Fixed the join of predicted vs. measured values when choosing
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evaluation with cross-validation; now predictions and model evaluation
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statistics are reported at best `ncomp`. Instead of an `dplyr::inner_join()`,
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all cross-validated predictions were done with `dplyr::anti_join()`,
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specifically when using `evaluation_method == "resampling"` together with
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`tuning_method == "resampling"`. This resulted in predictions incorrectly
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being aggregated for all tested but not best ncomp (calculated in caret).
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Thus, also the cross-validation metrics were not correctly reported what
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should have been the case at optimal `ncomp` derived based on resampling and
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model tuning. The fix now correctly does an inner join, so that only the
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values at best `ncomp` are extracted and used for the evaluation statistics.
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This is also shown on the resulting plot outputs.
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# simplerspec 0.2.0
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- Add new example data set `soilspec_yamsys`.
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- `gather_spc()`: Consolidate the documentation with details on how data are matched from list and gathered into a spectra tibble.
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# simplerspec 0.1.0.9001
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* `resample_spc()` now supports flexible spectra and x-axis types as inputs. Its
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interface has been carefully augmented without breaking previous
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functionality ([#9](https://github.com/philipp-baumann/simplerspec/issues/9)
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* New argument `column_in` specifies the string or name (unquoting support)
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of the input column that contains the list of spectra. The following
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spectrum types, which are automatically matched against the list-column that
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contains the corresponding x-unit value vectors, are currently supported:
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`spc` (raw or unprocessed spectra), `spc_rs` (resampled spectra),
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`spc_mean` (mean spectra), `spc_nocomp` (spectra prior atmospheric
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compensation), `sc_sm` (single channel sample spectra), `sc_rf` (single
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channel reference spectra), `spc_pre` (preprocessed spectra).
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* New argument `interpol_method` specifying the interpolation method is
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introduced. Default is `"linear"` to achieve identical results with both
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prospectr v0.1.0 and v0.2.0. The current CRAN prospectr v0.2.0 has changed
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the default of `interpol` to `"spline"`. The previous `resample_spc()`
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unfortunatelty did not explicitly state the method internally, and relied
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on the default instead. The measures taken ensure downward compatibility of
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`resample_spc()` with previous versions of prospectr and simplerspec.
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* The arguments gain more defensive checks inside the function (supplied types
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and presence of objects in spectra).
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* The function components and the help are updated accordingly. Clearer
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vocabulary to describe the functionality and more consistent terminology for
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physical quantities and R objects are used.
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* Add UTF-8 support to DESCRIPTION because roxygen2 version 7.1.0 requires it.
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# simplerspec 0.1.0.9000
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* Start using Kirill's `{fledge}` for tracking and communicating the simplerspec
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development process in `NEWS`.
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# simplerspec 0.1.0
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* Added a `NEWS.md` file to track changes to the package
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# simplerspec 0.1.0.1
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* `read_opus_bin_univ()`: Add support for Bruker files that have undefined `PLF` value (`:= NULL`)
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