PDFgetX2
Current version : 1.0 Build : 20090724

Authors: Xiangyun Qiu, Jeroen Thompson, Simon Billinge

Welcome
PDFgetX2 is a GUI driven user friendly program to obtain the atomic pair distribution function (PDF) from X-ray powder diffraction data. This program replaces and extends our older program, PDFgetX. We recommend current PDFgetX users to ugrade to PDFgetX2 as we will not be supporting the original PDFgetX in the future.

Standard corrections due to background subtraction, sample absorption, polarization, Compton intensities are available. Particularly for the recent RA-PDF development, oblique incident angle correction and and empirical energy dependence of the detection efficiency are also implemented. Standard uncertainties due to finite counting statistics are estimated and propagated in all steps. The final S(Q) and G(r) data files are multiple-column ASCII files with the processing parameters in the header. The S(Q) data also contain the Faber-Ziman weighting factors for each partial structure factor contributions as additional columns. The G(r) file format is compatible with the PDF modeling programs PDFFIT and DISCUS.

Links:

Please give us credit and include the reference listed below in all papers that publish results that were full or partially obtained using the program PDFgetX2. Thank you.

X. Qiu, J. W. Thompson, and S. J. L. Billinge, PDFgetX2: A GUI driven program to obtain the pair distribution function from X-ray powder diffraction data, (2004)
Copyright © International Union of Crystallography J. Appl. Cryst. 37, 678-678
What's New?
  • 2005/03/15, bug of SPEC data processing history file loading fixed. Thanks for letting us know.
  • 2005/03/12, fixed the working directory problem due to IDL6.1, and some minor improvements
  • 2005/01/23, some bugs fixed.
  • 2004/07/22, some minor bugs fixed, GUI enhanced to some extent. Optimize S(Q) and optimize G(r) put under test.
  • 2004/04/26, some GUI polishing up work done
Disclaimer
PDFgetX2 Software and Documentation are provided "as is." MSU MAKES NO WARRANTY, EXPRESS OR IMPLIED, TO END USER OR TO ANY OTHER PERSON OR ENTITY. SPECIFICALLY, MSU MAKES NO WARRANTY OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE OF PDFGETX2 SOFTWARE OR DOCUMENTATION. MSU WILL NOT BE LIABLE FOR SPECIAL, INCIDENTAL, CONSEQUENTIAL, INDIRECT OR OTHER SIMILAR DAMAGES, EVEN IF MSU OR ITS EMPLOYEES HAVE BEEN ADVISED OF THE POSSIBILITY OF SUCH DAMAGES. IN NO EVENT WILL MSU LIABILITY FOR ANY DAMAGES TO END USER OR ANY PERSON EVER EXCEED THE FEE PAID FOR THE LICENSE TO USE THE SOFTWARE, REGARDLESS OF THE FORM OF THE CLAIM.