Klassez

Fixed import statement in the *sim* module.
Added option to click with the mouse middle button as an alternative to left double click.
Now the rulers in the *plot* function of *Spectrum_1D* and *Spectrum_2D* are dragged with the right mouse button.
Phase adjustments are now possible with respect to another spectrum imported as reference.
The interactive plots are possible also as function of the frequency scales.

Bug fixed in the calibration functions.
Other bug fixes.

New functions:
04/12/2024
- *processing.splitcomb*
- *Spectrum_2D.splitcomb*

Modified functions:
16/12/2024
- *Spectrum_1D.pknl*: now it works automatically either on FID or processed data by calling *processing.pknl*
xx/03/2025
- *Spectrum_nD.plot*: new argument **fqscale**
- *processing.ps*: new argument **reference**
- *Spectrum_nD.adjph*: uses the new *processing.ps*

Changed *processing.gm* and *processing.gmb* implementation, and to use two different sets of **lb** and **gb** in the *Spectra.procs* classes.
*processing.fp* and *processing.interactive_fp* were also modified accordingly.
SIMPLISMA correction.

Corrected a few docstrings.
Remade user manual and added new test scripts.
Bug fixes.

Modified functions:
- *misc.noise_snr*: corrected error in the formula, now also use *np.sum* instead of loops
- *processing.fp*: **gm** and **gmb** now use two different sets of parameters.
- *processing.gm*: now it works.
- *processing.gmb*: now it works.
- *processing.interactive_fp*: **gm** and **gmb** now use two different sets of parameters.
- *processing.interactive_phase_1D*: bug fix, removed sliders
- *processing.simplisma*: The first purest variable is computed after the correction for the first weight.
- *fit.histogram*: added option **fitG** to draw the gaussian or not
- *fit.fit_int*: change of behavior if one wants to compute intensity only, or also the offset
- *fit.make_iguess*: active peak is now drawn with a thicker line
- *fit.voigt_fit_indep*: changed <b>_tol</b> to <b>_lim</b>, added <b>k_lim</b>
- *fit.write_vf*: added **header** parameter to allow the writing of a separator.

Added reading for Jeol. The package **jeol_parser** is now a required installation prerequisite.
New function for linear prediction. The previous function for backwards linear prediction was kept as a legacy option in *processing.blp_ng*
The **sim.gamma** dictionary now is read from a file in the new folder **klassez/tables**. There is another file there, that is read to generate the **sim.jeol_nuclei** dictionary, which is needed for the conversion from Jeol-style nuclei to *klassez* format.
The required minimum python version is then changed to 3.9.
All **x_g** labels were changed to **b**. Scripts written with previous versions of *klassez* may be corrected accordingly.
Improved fitting routines. Bug fixes.


New functions:
- *misc.makeacqus_1D_jeol*
- *processing.lp*
- *processing.blp_ng*

Modified functions:
- *misc.pretty_scale*: now the scale is automatically recomputed. Additional options possible.
- *processing.blp*: now uses the new *processing.lp* function.
- *figures.dotmd*: all traces are deactivated by default
- *Spectrum_1D.__init__*: option **spect=jeol** added

Added titles of all the figures.
Changed name of the following functions:
- Module **MISC**:
- *SNR* &rarr; *snr*
- *SNR_2D* &rarr; *snr_2D*
- Module **PROCESSING**
- *Cadzow* &rarr; *cadzow*
- *Cadzow_2D* &rarr; *cadzow_2D*
- *EAE* &rarr; *eae*
- *LRD* &rarr; *lrd*
- *MCR* &rarr; *mcr*
- *MCR_ALS* &rarr; *mcr_als*
- *MCR_unpack* &rarr; *mcr_unpack*
- *stack_MCR* &rarr; *mcr_stack*
- *SIMPLISMA* &rarr; *simplisma*
- Module **FIT**
- *LR* &rarr; *lr*
- *LSP* &rarr; *lsp*
- *SINC_phase* &rarr; *sinc_phase*

Several bug corrections.

New functions:
- *misc.merge_dict*
- *misc.zero_crossing*
- *fit.make_iguess_auto*
- *Spectrum_1D.add_noise*
- *Spectrum_1D.scan*
- *Spectrum_2D.add_noise*
- *Spectrum_2D.scan*
- *Pseudo_2D.add_noise*
- *Pseudo_2D.scan*

Modified functions
- *fit.Voigt_Fit.iguess*: added "auto" flag to use *fit.make_iguess_auto*
- *Spectrum_1D.plot*: added tracker for distance measurement
- *Spectrum_2D.plot*: added tracker for distance measurement

Modified classes
- *fit.Voigt_Fit*: added attribute **SW**, computed on the ppm scale

Several changes to allow compatibility with newer versions of **matplotlib**.
Added the attribute **CM_2D** in *config*, a dictionary that collects only the colormaps to be used for displaying 2D spectra.
Modified dtype of empty arrays in *Spectra*.
Added new functions for convolution, and its reverse. The latter does not work yet.
Bug corrections.

New functions:
- *processing.convolve*
- *processing.inv_convolve* - DOES NOT WORK
- *fit.test_randomsign*
- *fit.test_correl*
- *fit.test_ks*

Modified functions:
- *misc.select_traces*: changed identifier of mouse buttons
- *misc.show_cmap*: added parameter **filename** to save the figure, changed figure size
- *processing.MCR*: modified parameters to use the new *processing.stack_MCR* and *processing.MCR_unpack*
- *processing.MCR_unpack*: now uses positioning matrix
- *processing.stack_MCR*: now uses positioning matrix
- *figures.dotmd_2D*: now uses the new **CM_2D**
- *figures.redraw_contour*: change for compatibility with matplotlib>3.7
- *fit.test_residuals*: employs three new functions, improved performance
- *Spectrum_2D.__init__*: reshape of the fid is now made with last dimension implicit

Added new functions to transform FID in audio files!
New function for computing Hilbert transform.
Adaptation of some codes for the new versions of *numpy* and *scipy*.
Bug correction.

New functions:
- *misc.data2wav*
- *processing.hilbert*
- *fit.Peak.get_fid*
- *Spectrum_1D.to_wav*
- *Spectrum_2D.to_wav*
- *Pseudo_2D.to_wav*

Modified functions:
- *misc.binomial_triangle*: employs the function from the *math* library
- *misc.edit_checkboxes*: adapted for *matplotlib>=3.7*
- *processing.ft*, *processing.ift*: warnings for non-complex data are now suppressed
- *processing.qpol*: the polynomion is computed by solving the linear system with *fit.LSP*
- *sim.load_sim_1D*, *sim.load_sim_2D*: more intelligent handling of spacings, now writing input files is easier
- *sim.t_voigt*, *sim.t_2Dvoigt*: corrected the parameter **x_G** in order to preserve the linewidth of the signal
- *Pseudo_2D.mount*: the FIDs have now priority on the .npy file


Modified classes:
- *fit.CostFunc*: all methods now compute the array of residuals