DANSE-diffraction software summarized as a high-level namespace package.
If you are interested in analyzing the structure of materials from neutron or x-ray diffraction data, DiffPy is a powerful software solution worth considering. DiffPy is a collection of Python libraries and applications that offer great flexibility in this field.
DiffPy is not just a single package; it is a comprehensive top-level namespace for all of its components. The DiffPy library consists of python modules that allow for easy execution of various tasks in diffraction. However, note that the library is still at an early stage of development and not yet suitable for code development by non-experts. Nonetheless, DiffPy has already been used to develop two easy-to-use end applications.
One of these applications is PDFgui, a program that allows you to perform full-profile fitting of the atomic pair distribution function (PDF) derived from x-ray or neutron diffraction data. PDFgui is a graphical front-end for the PDFfit2 refinement program and has built-in graphical and structure visualization capabilities. Note that the program is still in beta release and is distributed as part of the DiffPy library.
The other application that you can use with DiffPy is PDFfit2. This is the structure refinement engine that lets you fit structural models to experimentally derived PDFs. While PDFfit2 is used as a calculation backend for PDFgui, it can also be run independently.
Overall, the DiffPy software package offers a flexible and powerful solution for analyzing the structure of materials from neutron or x-ray diffraction data. With the two easy-to-use end applications, PDFgui and PDFfit2, you can benefit a lot from the software in various ways.
DiffPy is not just a single package; it is a comprehensive top-level namespace for all of its components. The DiffPy library consists of python modules that allow for easy execution of various tasks in diffraction. However, note that the library is still at an early stage of development and not yet suitable for code development by non-experts. Nonetheless, DiffPy has already been used to develop two easy-to-use end applications.
One of these applications is PDFgui, a program that allows you to perform full-profile fitting of the atomic pair distribution function (PDF) derived from x-ray or neutron diffraction data. PDFgui is a graphical front-end for the PDFfit2 refinement program and has built-in graphical and structure visualization capabilities. Note that the program is still in beta release and is distributed as part of the DiffPy library.
The other application that you can use with DiffPy is PDFfit2. This is the structure refinement engine that lets you fit structural models to experimentally derived PDFs. While PDFfit2 is used as a calculation backend for PDFgui, it can also be run independently.
Overall, the DiffPy software package offers a flexible and powerful solution for analyzing the structure of materials from neutron or x-ray diffraction data. With the two easy-to-use end applications, PDFgui and PDFfit2, you can benefit a lot from the software in various ways.
What's New
Version 1.0: N/A