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0.82.1

Notebooks

- Added notebook showing an example for `LongTermGapFillingRandomForestTS` (
`notebooks/GapFilling/LongTermRandomForestGapFilling.ipynb`)
- Added notebook example for `MeasurementOffset` (`notebooks/Corrections/MeasurementOffset.ipynb`)

Tests

- Added unittest for `LongTermGapFillingRandomForestTS` (
`tests.test_gapfilling.TestGapFilling.test_gapfilling_longterm_randomforest`)
- Added unittest for `WindDirOffset` (`tests.test_corrections.TestCorrections.test_winddiroffset`)
- Added unittest for `DaytimeNighttimeFlag` (`tests.test_createvar.TestCreateVar.test_daytime_nighttime_flag`)
- Added unittest for `calc_vpd_from_ta_rh` (`tests.test_createvar.TestCreateVar.test_calc_vpd`)
- Added unittest for `percentiles101` (`tests.test_analyses.TestAnalyses.test_percentiles`)
- Added unittest for `GapFinder` (`tests.test_analyses.TestAnalyses.test_gapfinder`)
- Added unittest for `SortingBinsMethod` (`tests.test_analyses.TestAnalyses.test_sorting_bins_method`)
- Added unittest for `daily_correlation` (`tests.test_analyses.TestAnalyses.test_daily_correlation`)
- Added unittest for `QuantileXYAggZ` (`tests.test_analyses.TestCreateVar.test_quantilexyaggz`)
- 49/49 unittests ran successfully

Bugfixes

- Fixed bug that caused results from long-term gap-filling to be inconsistent *despite* using a fixed random state. I
found the following: when reducing features across years, the removal of duplicate features from a list of found
features created a list where the order of elements changed each run. This in turn produced slightly different
gap-filling results each time the long-term gap-filling was executed. Used Python version where this issue occurred
was `3.9.19`.
- Here is a simplified example, where `input_list` is a list of elements with some duplicate elements:
- Running `output_list = list(set(input_list))` generates `output_list` where the elements would have a different
output order each run. The elements were otherwise the same, only their order changed.
- To keep the order of elements consistent it was necessary to `output_list.sort()`.
- (`diive.pkgs.gapfilling.longterm.LongTermGapFillingBase.reduce_features_across_years`)
- Corrected wind direction could be 360°, but will now be 0° (
`diive.pkgs.corrections.winddiroffset.WindDirOffset._correct_degrees`)

0.82.0

Long-term gap-filling

It is now possible to gap-fill multi-year datasets using the class `LongTermGapFillingRandomForestTS`. In this approach,
data from neighboring years are pooled together before training the random forest model for gap-filling a specific year.
This is especially useful for long-term, multi-year datasets where environmental conditions and drivers might change
over years and decades.

Why random forest? Because it performed well and to me it looks like the first choice for gap-filling ecosystem fluxes,
at least at the moment.

Long-term gap-filling using random forest is now also built into the flux processing chain (Level-4.1). This allows to
quickly gap-fill the different USTAR scenarios and to create some useful plots (I
hope). [See the flux processing chain notebook for how this looks like](https://github.com/holukas/diive/blob/main/notebooks/FluxProcessingChain/FluxProcessingChain.ipynb).

In a future update it will be possible to either directly switch to `XGBoost` for gap-filling, or to use it (and other
machine-learning models) in combination with random forest in the flux processing chain.

Example

Here is an example for a dataset containing CO2 flux (`NEE`) measurements from 2005 to 2023:

- for gap-filling the year 2005, the model is trained on data from 2005, 2006 and 2007 (*2005 has no previous year*)
- for gap-filling the year 2006, the model is trained on data from 2005, 2006 and 2007 (same model as for 2005)
- for gap-filling the year 2007, the model is trained on data from 2006, 2007 and 2008
- ...
- for gap-filling the year 2012, the model is trained on data from 2011, 2012 and 2013
- for gap-filling the year 2013, the model is trained on data from 2012, 2013 and 2014
- for gap-filling the year 2014, the model is trained on data from 2013, 2014 and 2015
- ...
- for gap-filling the year 2021, the model is trained on data from 2020, 2021 and 2022
- for gap-filling the year 2022, the model is trained on data from 2021, 2022 and 2023 (same model as for 2023)
- for gap-filling the year 2023, the model is trained on data from 2021, 2022 and 2023 (*2023 has no next year*)

New features

- Added new method for long-term (multiple years) gap-filling using random forest to flux processing chain (
`diive.pkgs.fluxprocessingchain.fluxprocessingchain.FluxProcessingChain.level41_gapfilling_longterm`)
- Added new class for long-term (multiple years) gap-filling using random forest (
`diive.pkgs.gapfilling.longterm.LongTermGapFillingRandomForestTS`)
- Added class for plotting cumulative sums across all data, for multiple columns (
`diive.core.plotting.cumulative.Cumulative`)
- Added class to detect a constant offset between two measurements (
`diive.pkgs.corrections.measurementoffset.MeasurementOffset`)

Changes

- Creating lagged variants creates gaps which then leads to incomplete features in machine learning models. Now, gaps
are filled using simple forward and backward filling, limited to the number of values defined in *lag*. For example,
if variable TA is lagged by -2 value this creates two missing values for this variant at the start of the time series,
which then are then gap-filled using the simple backwards fill with `limit=2`. (
`diive.core.dfun.frames.lagged_variants`)

Notebooks

- Updated flux processing chain notebook to include long-term gap-filling using random forest (
`notebooks/FluxProcessingChain/FluxProcessingChain.ipynb`)
- Added new notebook for plotting cumulative sums across all data, for multiple columns (
`notebooks/Plotting/Cumulative.ipynb`)

Tests

- Unittest for flux processing chain now includes many more methods (
`tests.test_fluxprocessingchain.TestFluxProcessingChain.test_fluxprocessingchain`)
- 39/39 unittests ran successfully

Bugfixes

- Fixed deprecation warning in (`diive.core.ml.common.prediction_scores_regr`)

0.81.0

Expanding Flux Processing Capabilities

This update brings advancements for post-processing eddy covariance data in the context of the `FluxProcessingChain`.
The goal is to offer a complete chain for post-processing ecosystem flux data, specifically designed to work seamlessly
with the standardized `_fluxnet` output file from the
widely-used [EddyPro](https://www.licor.com/env/products/eddy-covariance/eddypro) software.

Now, diive offers the option for USTAR filtering based on *known* constant thresholds across the entire dataset (similar
to the `CUT` scenarios in FLUXNET data). While seasonal (DJF, MAM, JJA, SON) thresholds are calculated internally,
applying them on a seasonal basis or using variable thresholds per year (like FLUXNET's `VUT` scenarios) isn't yet
implemented.

With this update, the `FluxProcessingChain` class can handle various data processing steps:

- Level-2: Quality flag expansion
- Level-3.1: Storage correction
- Level-3.2: Outlier removal
- Level-3.3: (new) USTAR filtering (with constant thresholds for now)
- (upcoming) Level-4.1: long-term gap-filling using random forest and XGBoost
- For info about the different flux levels
see [Swiss FluxNet flux processing chain](https://www.swissfluxnet.ethz.ch/index.php/data/ecosystem-fluxes/flux-processing-chain/)

New features

- Added class to apply multiple known constant USTAR (friction velocity) thresholds, creating flags that indicate time
periods characterized by low turbulence for multiple USTAR scenarios. The constant thresholds must be known
beforehand, e.g., from an earlier USTAR detection run, or from results from FLUXNET (
`diive.pkgs.flux.ustarthreshold.FlagMultipleConstantUstarThresholds`)
- Added class to apply one single known constant USTAR thresholds (
`diive.pkgs.flux.ustarthreshold.FlagSingleConstantUstarThreshold`)
- Added `FlagMultipleConstantUstarThresholds` to the flux processing chain (
`diive.pkgs.fluxprocessingchain.fluxprocessingchain.FluxProcessingChain.level33_constant_ustar`)
- Added USTAR detection algorithm based on Papale et al., 2006 (`diive.pkgs.flux.ustarthreshold.UstarDetectionMPT`)
- Added function to analyze high-quality ecosystem fluxes that helps in understanding the range of highest-quality data(
`diive.pkgs.flux.hqflux.analyze_highest_quality_flux`)

Additions

- `LocalSD` outlier detection can now use a constant SD:
- Added parameter to use standard deviation across all data (constant) instead of the rolling SD to calculate the
upper and lower limits that define outliers in the median rolling window (
`diive.pkgs.outlierdetection.localsd.LocalSD`)
- Added to step-wise outlier detection (
`diive.pkgs.outlierdetection.stepwiseoutlierdetection.StepwiseOutlierDetection.flag_outliers_localsd_test`)
- Added to meteoscreening from database (
`diive.pkgs.qaqc.meteoscreening.StepwiseMeteoScreeningDb.flag_outliers_localsd_test`)
- Added to flux processing chain (
`diive.pkgs.fluxprocessingchain.fluxprocessingchain.FluxProcessingChain.level32_flag_outliers_localsd_test`)

Changes

- Replaced `.plot_date()` from the Matplotlib library with `.plot()` due to deprecation

Notebooks

- Added notebook for plotting cumulative sums per year (`notebooks/Plotting/CumulativesPerYear.ipynb`)
- Added notebook for removing outliers based on the z-score in rolling time window (
`notebooks/OutlierDetection/zScoreRolling.ipynb`)

Bugfixes

- Fixed bug when saving a pandas Series to parquet (`diive.core.io.files.save_parquet`)
- Fixed bug when plotting `doy_mean_cumulative`: no longer crashes when years defined in parameter
`excl_years_from_reference` are not in dataset (`diive.core.times.times.doy_mean_cumulative`)
- Fixed deprecation warning when plotting in `bokeh` (interactive plots)

Tests

- Added unittest for `LocalSD` using constant SD (
`tests.test_outlierdetection.TestOutlierDetection.test_localsd_with_constantsd`)
- Added unittest for rolling z-score outlier removal (
`tests.test_outlierdetection.TestOutlierDetection.test_zscore_rolling`)
- Improved check if figure and axis were created in (`tests.test_plots.TestPlots.test_histogram`)
- 39/39 unittests ran successfully

Environment

- Added new package `scikit-optimize`
- Added new package `category_encoders`

0.80.0

Additions

- Added outlier tests to step-wise meteoscreening from database: `Hampel`, `HampelDaytimeNighttime` and `TrimLow` (
`diive.pkgs.qaqc.meteoscreening.StepwiseMeteoScreeningDb`)
- Added parameter to control whether or not to output the middle timestamp when loading parquet files with
`load_parquet()`. By default, `output_middle_timestamp=True`. (`diive.core.io.files.load_parquet`)

Environment

- Re-created environment and created new `lock` file
- Currently using Python 3.9.19

Notebooks

- Added new notebook for creating a flag that indicates missing values (
`notebooks/OutlierDetection/MissingValues.ipynb`)
- Updated notebook for meteoscreening from database (
`notebooks/MeteoScreening/StepwiseMeteoScreeningFromDatabase.ipynb`)
- Updated notebook for loading and saving parquet files (`notebooks/Formats/LoadSaveParquetFile.ipynb`)

Tests

- Added unittest for flagging missing values (`tests.test_outlierdetection.TestOutlierDetection.test_missing_values`)
- 37/37 unittests ran successfully

Bugfixes

- Fixed links in README, needed absolute links to notebooks
- Fixed issue with return list in (`diive.pkgs.analyses.histogram.Histogram.peakbins`)

0.79.1

Additions

- Added new function to apply quality flags to certain time periods only (`diive.pkgs.qaqc.flags.restrict_application`)
- Added to option to restrict the application of the angle-of-attack flag to certain time periods (
`diive.pkgs.fluxprocessingchain.level2_qualityflags.FluxQualityFlagsEddyPro.angle_of_attack_test`)

Changes

- Test options in `FluxProcessingChain` are now always passed as dict. This has the advantage that in addition to run
the test by setting the dict key `apply` to `True`, various other test settings can be passed, for example the new
parameter `application dates` for the angle-of-attack flag. (
`diive.pkgs.fluxprocessingchain.fluxprocessingchain.FluxProcessingChain`)

Tests

- Added unittest for Flux Processing Chain up to Level-2 (
`tests.test_fluxprocessingchain.TestFluxProcessingChain.test_fluxprocessingchain_level2`)
- 36/36 unittests ran successfully

0.79.0

This version introduces a histogram plot that has the option to display z-score as vertical lines superimposed on the
distribution, which helps in assessing z-score settings used by some outlier removal functions.

![DIIVE](images/plotHistogram_diive_v0.79.0.png)

*Histogram plot of half-hourly air temperature measurements at the ICOS Class 1 ecosystem
station [Davos](https://www.swissfluxnet.ethz.ch/index.php/sites/site-info-ch-dav/) between 2013 and 2022, displayed in
20 equally-spaced bins. The dashed vertical lines show the z-score and the corresponding value calculated based on the
time series. The bin with most counts is highlighted orange.*

New features

- Added new class `HistogramPlot`for plotting histograms, based on the Matplotlib
implementation (`diive.core.plotting.histogram.HistogramPlot`)
- Added function to calculate the value for a specific z-score, e.g., based on a time series it calculates the value
where z-score = `3` etc. (`diive.core.funcs.funcs.val_from_zscore`)

Additions

- Added histogram plots to `FlagBase`, histograms are now shown for all outlier methods (
`diive.core.base.flagbase.FlagBase.defaultplot`)
- Added daytime/nighttime histogram plots to (`diive.pkgs.outlierdetection.hampel.HampelDaytimeNighttime`)
- Added daytime/nighttime histogram plots to (`diive.pkgs.outlierdetection.zscore.zScoreDaytimeNighttime`)
- Added daytime/nighttime histogram plots to (`diive.pkgs.outlierdetection.lof.LocalOutlierFactorDaytimeNighttime`)
- Added daytime/nighttime histogram plots to (
`diive.pkgs.outlierdetection.absolutelimits.AbsoluteLimitsDaytimeNighttime`)
- Added option to calculate the z-score with sign instead of absolute (`diive.core.funcs.funcs.zscore`)

Changes

- Improved daytime/nighttime outlier plot used by various outlier removal classes (
`diive.core.base.flagbase.FlagBase.plot_outlier_daytime_nighttime`)

Notebooks

- Added notebook for plotting histograms (`notebooks/Plotting/Histogram.ipynb`)
- Added notebook for manual removal of data points (`notebooks/OutlierDetection/ManualRemoval.ipynb`)
- Added notebook for outlier detection using local outlier factor, separately during daytime and nighttime (
`notebooks/OutlierDetection/LocalOutlierFactorDaytimeNighttime.ipynb`)
- Updated notebook (`notebooks/OutlierDetection/HampelDaytimeNighttime.ipynb`)
- Updated notebook (`notebooks/OutlierDetection/AbsoluteLimitsDaytimeNighttime.ipynb`)
- Updated notebook (`notebooks/OutlierDetection/zScoreDaytimeNighttime.ipynb`)
- Updated notebook (`notebooks/OutlierDetection/LocalOutlierFactorAllData.ipynb`)

Tests

- Added unittest for plotting histograms (`tests.test_plots.TestPlots.test_histogram`)
- Added unittest for calculating histograms (without plotting) (`tests.test_analyses.TestCreateVar.test_histogram`)

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