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Changelog

This page contains a summary of changes between the official ASpecD releases. Only the biggest changes are listed here. A complete and detailed log of all changes is available through the GitHub Repository Browser.

Version 0.4.0

Released 2021-10-08

Note: Starting with this release ASpecD requires Python >= 3.7.

New features

• Tasks/Recipe-driven data analysis

  • New attribute aspecd.tasks.PlotTask.target allows adding a plot to an already existing plot.

  • aspecd.tasks.Task.to_dict() adds (implicit) parameters of underlying task object

  • Classes from the ASpecD framework can be used without prefixing them with “aspecd” in recipes with “default_package” set to a package based on the ASpecD framework.

  • serve command outputs log messages for each task

  • Command-line options for serve setting the log level/verbosity

  • Catching of errors, excluding the stack trace and only showing the error message (but full stack trace in verbose mode)

  • Switch in recipe to suppress writing history (for development/debugging, issuing warning on the command line via logging)

  • New structure of recipes: Move default_package and autosave_plots to new dict settings; output_directory and datasets_source_directory to new dict directories

  • Add format dict to recipe with fields type and version

  • Automatically convert old recipe formats within aspecd.io.RecipeYamlImporter

  • Processing steps writing parameters during execution and applied to multiple datasetes are unpacked in the recipe history if these parameters change for each dataset

• References in processing and analysis steps and models (using bibrecord package)

Version 0.3.1

Released 2021-09-21

The following bugs have been fixed:

• Handling of lists as properties in recipes

• Improved handling of axes labels with xkcd style

• Offset in SinglePlotter2DStacked can be set to zero

Version 0.3.0

Released 2021-09-02

Note: This is the last ASpecD release with explicit support for Python 3.5.

New features

• Processing steps

  • Adding (coloured) noise to datasets (aspecd.processing.Noise)

  • Provide a new range of axis values for a dataset for correction (aspecd.processing.ChangeAxesValues)

• Analysis steps

  • Power spectral density of 1D dataset (aspecd.analysis.PowerDensitySpectrum), e.g., for analysing noise

  • Polynomial fit of 1D data (aspecd.analysis.PolynomialFit)

  • Linear regression of 1D data without fitting the intercept (aspecd.analysis.LinearRegressionWithFixedIntercept)

  • Additional methods in aspecd.analysis.BlindSNREstimation

• Class aspecd.model.Model

  • New attribute aspecd.model.Model.description

  • New non-public method _sanitise_parameters

• New models

  • aspecd.model.Polynomial for evaluating polynomials (e.g., as obtained using aspecd.analysis.PolynomialFit)

  • aspecd.model.Zeros

  • aspecd.model.Ones

  • aspecd.model.Gaussian

  • aspecd.model.NormalisedGaussian

  • aspecd.model.Lorentzian

  • aspecd.model.NormalisedLorentzian

  • aspecd.model.Sine

  • aspecd.model.Exponential

  • aspecd.model.CompositeModel for models consisting of a (weighted) sum of individual models

  • aspecd.model.FamilyOfCurves for inspecting systematic variations of one parameter of a given model

• Tasks

  • Comments can be added easily to processing and analysis steps using the top-level key comment of the respective task.

• Utils

  • aspecd.utils.not_zero() ensuring a float not to cause DivisionByZero errors

Changes

• aspecd.processing.Differentiation uses numpy.gradient() instead of numpy.diff()

• aspecd.processing.BaselineCorrection returns polynomial coefficients in unscaled data domain

Fixes

• Axis labels without “/” if no unit is present

• aspecd.metadata.Measurement handles dates imported from YAML (implicitly converted into datetime.date object)

Version 0.2.2

Released 2021-06-19

The following bugs have been fixed:

• Normalisation to minimum now divides by absolute value of minimum

• Normalisation raises ValueError in case of unknown kind

• Import with explicit importer when importer resides in (sub)package

• Recipe history shortens dataset source if dataset_source_directory has trailing slash

Version 0.2.1

Released 2021-06-03

The following bugs have been fixed:

• Report: template can have “..” in its path

• aspecd.utils.copy_values_between_dicts() cascades through source dict

• Add missing template files for sphinx multiversion

Additionally, the following new helper functions appeared:

• aspecd.utils.remove_empty_values_from_dict()

• aspecd.utils.convert_keys_to_variable_names()

Version 0.2.0

Released 2021-05-19

New features

• Singleplot and multiplot tasks automatically save results to generic file(s) when no filename is provided

• Importer and importer parameters can be set in recipe

• DatasetImporterFactory: importer can be set explicitly, parameters can be passed to importers

• DatasetImporter with parameters property

• Meaningful error messages for exceptions in ProcessingSteps, AnalysisSteps, Plotters

• Method create_dataset() in AnalysisStep

• PeakFinding (for 1D data)

• BlindSNREstimation (currently only with simplest method)

• BasicStatistics (mean, median, std, var)

• BasicCharacteristics (min, max, amplitude, area)

• ProcessingStep provides non-public method _set_defaults() for setting default parameters before sanitising parameters.

• Filtering (with uniform, Gaussian, and Savitzky-Golay filter)

• Interpolation (at least for 1D and 2D datasets)

• Normalisation:

  • Act on parts of the data of a dataset

  • Handle noise for ND data with N>1

• RangeExtraction: extract range of data from dataset (using slice notation)

• MultiprocessingTask (and SingleprocessingTask aliasing ProcessingTask)

• ScalarAxisAlgebra: perform scalar algebra on axis values

• DatasetAlgebra: add and subtract data of second dataset to/from dataset

• CommonRangeExtraction for 1D and 2D datasets

• SinglePlotter2D:

  • Filled contour plot with additional contour lines that can be styled

  • Lines of contour plot can be styled

• SliceExtraction now handles both, axis indices and axis values

Changes

• Removed parameter source from method _get_importer in DatasetImporterFactory, importer factories of derived packages now handle ASpecD-implemented importers by default.

• Dataset: method aspecd.dataset.append_history_record() made public

• SystemInfo: Packages contain now full list of dependencies with version numbers of currently installed packages

• SliceExtraction:

  • parameter “index” renamed to “position”

  • works for ND datasets with N>1

• ProcessingStep split into SingleProcessingStep and MultiProcessingStep

  All processing steps previously inheriting from aspecd.ProcessingStep need to inherit now from aspecd.SingleProcessingStep to continue working as expected.

• Plots throw “NotApplicableToDataset” exceptions rather than “PlotNotApplicableToDataset”

Fixes

• SingleanalysisTask assigns results of multiple (individual) datasets

• Exceptions print messages

New dependencies

• scipy (for interpolation in ExtractCommonRange and various analysis steps)

Version 0.1.1

Released 2021-05-03

The following bugs have been fixed:

• MetadataMapper: Fix sequence of mapping operations performed

• MetadataMapper: Mappings are automatically loaded from file if filename is given

• CompositePlotter: Legends for subplots work

• SliceExtraction: Remove correct axis from dataset

• MultiPlotter1D*: Fix problem in conjunction with CompositePlotter and assigning drawings

• SliceExtraction: fix problem extracting slice with index zero

• CompositePlotter: more intuitive axes_positions

• Fix bug with aspect ratio of 2D plots using imshow

• Update intersphinx mapping for matplotlib

Version 0.1.0

Released 2021-04-24

• First public release

• List of generally applicable concrete processing steps

• List of generally applicable concrete plotters

• Recipe-driven data analysis fully working with history

• Introduced ASpecD dataset format (ADF)

Version 0.1.0.dev280

Released 2019-06-14

• First public pre-release on PyPI