Analysis will be demonstrated using data actually measured at SPring-8.

Distribution file

diffpy.pdfgetx-2.2.1-py2.py3-none-any.whl（Required to install PDFgetX3）
Ni.ins（RIETAN-FP control file）
Ni.int（Measurement data in RIETAN-FP format）
Ni.txt（Ni powder measurement data）
BG.txt（Background measurement data）
pdfgetx3.cfg（PDFgetX3 configuration file）
Ni.cif（Ni CIF file）

Fitting Ni powder diffraction pattern by RIETAN-FP

1.Put Ni.ins, Ni.int, Ni.cif in the same directory
2.Renamed Ni.ins to template.ins
3.Open Ni.cif with Hidemaru editor or Jedit Ω
4.Run cif2ins from editor macro
5.Ni.ins created with cif2ins has most of the parameters not working, so edit accordingly.
6.Run RIETAN from editor macro
7.Execute lst2cif from the editor macro to output the fitting result as a CIF file.

Calculation of G(r) using PDFgetx3

1.Put pdfgetx3.cfg, Ni.txt, BG.txt in the same directory.
2.Run pdfgetx3 Ni.txt from the command line.
3.To check the output G(r), type pdfgetx3 -c Ni.gr --plot=fq,gr on the command line and execute.

Fitting G(r) of Ni powder using PDFgui

1.Place Ni.gr output by PDFgetX3 and Ni.cif output by RIETAN-FP in the same directory.
2.Start PDFgui by double-clicking the desktop icon or typing pdfgui from the command line.
3.Fits --> New Fit
4.Phase --> New Phase The file selection screen will appear, so select Ni.cif
5.Data --> New Data Set The file selection screen will appear, so select Ni.gr
6.A tutorial on PDFgui's home page provides detailed instructions.