dgpost version history

dgpost-v2.4

Section author: Peter Kraus

Developed in the ConCat lab at Technische Universität Berlin.

Warning

Minimum version of the uncertainties package has been increased to uncertainties>=3.2.0. Pickle files created with previous versions of the uncertainties package may not be compatible.

Warning

Support for processing json datagrams from yadg-4.0 is deprecated and will stop working in dgpost-3.0. Please convert any existing datagrams from the json format to the “new” NetCDF format using yadg-7.0.

An update to dgpost-2.3, including the following changes:

Added the permittivity module for calculations related to complex permittivity and various corrections.
Added a prominence parameter to pruning functions in reflection module, allowing users a better control of peak picking using peak prominence.
Removed the default height=0.2 value used in prune_cutoff() and prune_gradient() functions.
Fixed more np.nan issues in the catalysis module.
Support for the new uncertainty format introduced in yadg-7.0, in particular:
- When extracting from NetCDF files, the ancillary_variables attribute is now used to find uncertainties.
- Added support for yadg_uncertainty_type fields when processing uncertainties.

Code author: Peter Kraus

dgpost-v2.3

Section author: Peter Kraus

Developed in the ConCat lab at Technische Universität Berlin.

An update to dgpost-2.2, including the following changes:

Added the complex module for converting complex numbers between their polar and rectangular forms.
Added the mixtures module for converting between different representation of mixtures.
Added the apply_linear() and apply_inverse() functions to allow application of calibrations or scaling factors to columns / namespaces.
Added the sum_namespace() function to provide a way to sum namespaces into a single column.
Bug fixes to many division-by-zero bugs in the catalysis module.
Bug fix in fe() to count electrons properly when using charged species.

Code author: Ueli Sauter, Peter Kraus

dgpost-v2.2

Section author: Peter Kraus

Developed in the ConCat lab at Technische Universität Berlin.

An update to dgpost-2.1, including the following changes:

Dropped support for python < 3.10.
Modified peak-picking in reflection to use scipy.signal.find_peaks().
Removed version checking from dgpost and its dependency on requests.
Implemented integration tests for compatibility with yadg.

Code author: Ueli Sauter, Peter Kraus

dgpost-v2.1

Section author: Peter Kraus

Developed in the ConCat lab at Technische Universität Berlin.

An update to dgpost-2.0, including the following features:

load: support for reading NetCDF files created by yadg-5.0;
pivot: added a new functionality, allowing the users to reorganise data by grouping them into arrays from multiple rows;
save: added a new columns argument, allowing the user to select which columns of a table are to be exported;

Code author: Ueli Sauter, Peter Kraus

dgpost-v2.0

Section author: Peter Kraus

Developed in the Materials for Energy Conversion lab at Empa, in Dübendorf, and in the Centre for Advanced Ceramic Materials at the Technische Universität Berlin.

Second major release. Including all bug-fixes from the dgpost-1.x series, and the following new features:

support for pd.MultiIndex in pd.DataFrames;
the table module of functions for basic operations on tables;
the chromatography module, including functions for post-processing chromatographic traces;
the reflection module, containing utilities for post-processing reflection traces, including pruning and fitting functions.

Code author: Ueli Sauter, Peter Kraus

dgpost-v1.1

Section author: Peter Kraus

Developed in the Materials for Energy Conversion lab at Empa, in Dübendorf.

This is a bugfix release, including:

--patch functionality, allowing the user to specify a file prefix on a command line when dgpost is executed;
additional catalysis functionality for calculating conversion using rates;
fixes to index-based x-axes in single-column figures in the plot module,
support for the recipe_1_1 schema.

Code author: Ueli Sauter, Peter Kraus

dgpost-v1.0

Section author: Peter Kraus

Developed in the Materials for Energy Conversion lab at Empa, in Dübendorf.

This initial release includes:

dgpost.utils module, including an initial implementation of the load, extract, transform, plot, and save functionalities,
dgpost.transform module, including the load_data() decorator and functions required to support the basic transform functionality,
several libraries within the dgpost.transform modules, including catalysis, electrochemistry, impedance, and rates,
the recipe_1_0 schema.

Code author: Ueli Sauter, Peter Kraus