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PNPD data analysis

Project description

CrysPy is a crystallographic library for neutron data analysis. Based on the library CrysPy a script RhoChi allows to refine polarized neutron diffraction experiments performed with single crystals as well as with powder magnetic compounds. A console version is given together with a simple GUI viewer.

cryspy/scripts/rhochi/f_icon/smm.PNG
Folder Description
cryspy cryspy library
rhochi RhoChi script
example examples
docs documentation

Main Features

  • Analysis of the polarized neutron scattering on crystals by the library CryPy;
  • Diffraction data refinement for single crystals or powder by RhoChi;

Installation and Requirements of CrysPy

CrysPy is developed and tested using Python 3.7 and depends on:

  • numpy
  • scipy
  • matplotlib
  • pyqt5.

It can be installed by

>>> python -m pip install cryspy  # as root (in Windows OS)

Or if you have downloaded a source tarball you can install CrysPy by doing the following:

>>> python setup.py develop # as root

Run RhoChi

The CrysPy library should be installed.

Use the command-line to run the refinement in the folder which contents the data:

>>> python -m cryspy.run_rhochi

Or use a simple viewer (GUI):

>>> python -m cryspy.gui_rhochi

Collaboration

Any third-party scripts based on the library CrysPy can be added.

If you have any suggestions, bug reports or annoyances please report them to our issue tracker at CrysPy.

Project details


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