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@samschott samschott released this 11 Dec 21:32
· 21 commits to master since this release
a299e48

Added:

  • Added support to parse and plot the pulse sequence information stored in the Bruker DSC
    file in the tables Psd1 to Psd36:

    >>> from customxepr.experiment import XeprData
    >>> dset = XeprData("path")
    >>> dset.pulse_sequence.plot()
    >>> print(dset.pulse_sequence.pulse_channels[5])
    <PulseChannel(Psd6: +x)>
    >>> print(dset.pulse_sequence.pulse_channels[5].pulses)
    [<Pulse(position=276, length=4)>, <Pulse(position=676, length=44)>]
  • Added a keyword argument settling_time to runXeprExperiment to wait between
    individual scans. This can be useful in case of temperature fluctuations between
    scans.

Changed:

  • Remove custom exit_customxepr() function. Instead, close the console to exit
    CustomXepr or run exit when started from an IPython or Jupyter shell.
  • Increase default maximum cooling temperature to 20°C.
  • Remember the location of the console window between restarts.
  • Set current directory of Xepr to directory of last-saved data.
  • The Qt event loop is no longer started on every import but just when actually starting
    the GUI or plotting a figure.
  • getValueXepr no longer accepts a path argument.
  • getQValueCalc no longer saves two files but the mode picture only. The given path
    must now be the full file path. The temperature data will now be saved together with
    the mode picture.
  • getQValueCalc no longer accepts a temperature argument. Instead, the temperature
    will be read from the Mercury if available.
  • The ModePicture class now accepts arbitrary metadata in dictionary form. This data
    will be saved as tab-delimited metadata in the mode picture file.

Fixed:

  • Fixed an issue when saving a dateset through Xepr when the path contains whitespace or
    backslashes. The path is now quoted with shlex.quote before being passed to Xepr.