changelog.md

Changelog

v2.4.1

Released on 2024-09-10

New feature

• D4x.plot_single_session() is now able to return the data to be plotted instead of plotting directly (used by D4Xgui, contributed by Miguel Bernecker).

Bugfix

• Simpler (better?) computation of D4x repeatability at the session level when using pooled regression method.

v2.4.0

Released on 2023-10-04

New feature

• Support for Δ₄₉ standardization (#15).

v2.3.2

Released on 2023-09-19

Bug fix

• Add rich dependency

v2.3.1

Released on 2023-07-22

Improvements

• Better help text and examples for CLI

v2.3.0

Released on 2023-07-21

New feature

• New method D4xdata.save_D4x_correl() to export a list of Δ_4x values along with their SE and correlation matrix.

Other changes

• The CLI now also calls save_D4x_correl().

v2.2.1

Released on 2023-07-20

New feature

• The CLI now processes Δ48 as well as Δ47 data, thanks to the --D48 option.

v2.2.0

Released on 2023-07-20

Command-line interface (CLI)

• Rejoice, you no longer need to know Python: it is now possible to process a multi-session Δ47 dataset with custom anchors and custom UID/sample exclusion list by simply calling D47crunch -a anchors.csv -e exclude.csv -o outdir rawdata.csv.

New features

• Add yspan option to D4xdata.plot_residuals()
• Added shuffle option to virtual_data().
• Added filetype option to D4xdata.plot_sessions().
• Added dpi option to D4xdata.plot_sessions(), D4xdata.plot_residuals().

Bugfix

• Fix error in D4xdata.plot_residuals() when hist = False and kde = False.

v2.1.1

Released on 2023-05-16

Bugfix

• D4xdata.compute_r() uses an improved computation for degrees of freedom for arbitrary subsets of sessions and/or samples, yielding more estimates of analytical repeatabilities for Δ47 and Δ48.

New feature

• Added kde option to D4xdata.plot_residuals()

Other changes

• Minor improvement to y axis tick labels) in D4xdata.plot_residuals().

v2.1.0

Released on 2023-05-14

New feature

• D4xdata.plot_bulk_compositions() plots the dispersion of δ13C and δ18O values for each sample.

v2.0.6

Released on 2023-05-13

Bugfix

• Eliminate some spurious debugging messages in _fullcovar()

v2.0.5

Released on 2023-05-11

Changes

• Under the hood: constrained parameters in pooled standardization now get fully propagated variance and covariance, allowing for truly arbitrary constraints without having book-keeping problems further down the line.

v2.0.4

Released on 2023-05-11

Changes

• Graphically improved D4xdata.plot_distribution_of_analyses()

Bugfix

• Fix D4xdata.standardize() when using weighted sessions

v2.0.3

Released on 2022-02-27

New feature

• D4xdata.covar_table() allows exporting the variance-covariance matrix or the correlation matrix for the Δ_4x values of unknwon samples.

Changes

• New hist keyword to D4xdata.plot_residuals(), which adds a histogram of residuals to the side of the plot.

v2.0.2

Released on 2021-08-16

Internals

• Remove HTML tags in all docstrings

v2.0.1

Released on 2021-08-08

Bugfix

• Fix silly mistake in readme.

v2.0.0

Released on 2021-08-08

New feature

• Support for Δ₄₈ standardization (cf section Process paired Δ₄₇ and Δ₄₈ values in the documentation).

Changes

• Extensive changes to the documentation, with new sections (Tutorial and How-to).
• Documentation is now built with pdoc instead of pdoc3.
• D47data.simulate() replaced by simulate_single_analysis() and virtual_data(), with additional functionality.
• New method: D4xdata.report()
• D4xdata.table_of_analyses(), D4xdata.table_of_sessions(), and D4xdata.table_of_samples() have a new argument output controlling what the method should return.
• SAMPLE_CONSTRAINING_WG_COMPOSITION is gone, replaced by D4xdata.Nominal_d13C_VPDB and D4xdata.Nominal_d18O_VPDB.
• lambda_17 is now replaced by LAMBDA_17 everywhere.
• Additional tests

Bugfixes

• Correct (or at least improve) computations of analytical repeatabilities in D47data.repeatabilities() and D47data.compute_r().