v0.10.4

What's Changed

• Error with the command peakfit-plot intensity by @gbouvignies in #7

Full Changelog: v0.10.3...v0.10.4

v0.10.3

Full Changelog: v0.10.2...v0.10.3

v0.10.2

Full Changelog: v0.10.1...v0.10.2

v0.10.1

• Numbered the extension of simulated spectra according to its dimension.
• Fixed a bug that prevented CPMG profiles from being plotted.
• Fixed a bug that severely affected the calculation of SP1 and SP2 shapes.

Full Changelog: v0.10.0...v0.10.1

v0.10.0

• Add the possibility to work with 3D spectra

Full Changelog: v0.9.1...v0.10.0

v0.9.1

Full Changelog: v0.9.0...v0.9.1

v0.9.0

What's Changed

• Added plotting module for PeakFit by @gbouvignies in #5
  • plot_cest, plot_cpmg, and plot_intensity have been updated to peakfit-plot cest, peakfit-plot cpmg, and peakfit-plot intensity, respectively.
  • Introduced a new command peakfit-plot spectra --exp [spectra_exp_filename] --sim [spectra_sim_filename] to plot and compare the experimental spectra with the simulated spectra, including their differences.

Full Changelog: v0.8.0...v0.9.0

v0.8.0

What's Changed

• "Implement Enhanced Peak Modeling and Spectral Analysis Enhancements" by @gbouvignies in #4

Full Changelog: v0.7.1...v0.8.0

v0.7.1

Full Changelog: v0.7.0...v0.7.1

v0.7.0

Full Changelog: v0.6.1...v0.7.0

• Add new lineshapes and automatic shape selection
  This release introduces new lineshapes: no_apod for no apodization, and sp1 and sp2 for shifted sine-bell apodization raised to the power of 1 and 2, respectively. The acquisition time and apodization parameters are used to accurately simulate the lineshape. By default, PeakFit will check the NMRPipe spectrum header to determine the appropriate model. If SP with powers of 1 or 2 is detected, sp1 or sp2 will be selected. If no apodization or EM is used, no_apod will be applied. For all other cases, pvoigt will be used.

• The segmentation algorithm for identifying clusters of peaks has been replaced by the SciPy algorithm.