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Version 0.2a.0
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Major bug in Fourier transform corrected.
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MetallerTM committed May 11, 2023
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44 changes: 44 additions & 0 deletions CHANGELOG.md
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# Version 0.2a.0

## Update notes:
Serious bug found! The functions *processing.ft* and *processing.ift* did not return the correct frequency. They have been corrected by converting them to "normal" FT and iFT, but reversing the data manually.

## Modified functions:
- *processing.ft*: so to use *np.fft.fftshift(np.fft.fft(data))*
- *processing.ift*: so to use *np.fft.ifft(np.fft.ifft(data))*

# Version 0.1a.2

## Update notes:
The docstrings of the functions, as well as the comments and the Latex documentation, were corrected, expanded, and uniformed to a common standard.
This should make them more readable and useful.

## Added functions:
- *misc.in2px*
- *misc.px2in*
- *misc.trim_data_2D*
- *processing.interactive_echo_param*
- *fit.peak_pick*
- *fit.gen_iguess_2D*
- *fit.build_2D_sgn*
- *fit.voigt_fit_2D*
- *fit.Voigt_Fit_2D* (class)

## Modified functions:
- *processing.split_echo_train*: made more python-friendly and not limited to 1D and 2D data. It now treats the first decay separately from the true echoes.
- *processing.sum_echo_train*: now calls for *processing.split_echo_train* and sum on the first dimension
- *processing.ft*: removed the "Numpy" parameter.
- *processing.ift*: removed the "Numpy" parameter.

## Added features:
- replaced the "print" statement with "warnings.warn" in *processing.ft* and *processing.ift*
- decorator function *cron* added in *config* and imported by *__init__*

## Modified features:
- *Spectra*, all classes: the attributes *BYTORDA*, *DTYPA* and *grpdly* were removed. Three keys, *BYTORDA*, *DTYPA* and *GRPDLY*, were added to the attribute *acqus*
- *Spectra*, all classes: the method *write_ser* became a *@staticmethod*
- *Spectra.Pseudo_2D*: added method *write_integrals*

# Version 0.1a.1

First release of **KLASSEZ**.
2 changes: 1 addition & 1 deletion README.md
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Expand Up @@ -4,7 +4,7 @@ The *klassez* package is a collection of functions and classes to handle NMR dat

It is organized in modules, each of which contains functions dedicated to specific tasks.

Full documentation is available, after installation of the package, through the function **open_doc**.
Full documentation is available, after installation of the package, through the function **open_doc**, which displays the file *klassez.pdf* located in the "docs" subfolder of your install dir.

Some of the functions employed by *klassez* are taken from the NMRGLUE package and modified to suit the needs of the *klassez* package itself.

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4 changes: 2 additions & 2 deletions klassez.egg-info/PKG-INFO
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Metadata-Version: 2.1
Name: klassez
Version: 0.1a1
Version: 0.1a2
Summary: A collection of functions for NMR data handling. Documentation: klassez.pdf in "docs" subfolder of your install dir.
Home-page: https://test.pypi.org/legacy/klassez
Home-page: https://github.com/MetallerTM/klassez
Author: Francesco Bruno
Author-email: bruno@cerm.unifi.it
License: LICENSE.txt
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2 changes: 1 addition & 1 deletion klassez.egg-info/SOURCES.txt
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Expand Up @@ -10,7 +10,7 @@ klassez/figures.py
klassez/fit.py
klassez/misc.py
klassez/processing.py
klassez/qsin.py
klassez/show_fcn.py
klassez/sim.py
klassez.egg-info/PKG-INFO
klassez.egg-info/SOURCES.txt
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