xPDFsuite: an end-to-end software solution for high throughput pair distribution function transformation, visualization and analysis

X Yang, P Juhas, CL Farrow, SJL Billinge - arXiv preprint arXiv:1402.3163, 2014 - arxiv.org
The xPDFsuite software program is described. It is for processing and analyzing atomic pair
distribution functions (PDF) from X-ray powder diffraction data. It provides a convenient GUI …

PDFgetX3: a rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions

P Juhás, T Davis, CL Farrow… - Journal of applied …, 2013 - scripts.iucr.org
PDFgetX3 is a new software application for converting X-ray powder diffraction data to an
atomic pair distribution function (PDF). PDFgetX3 has been designed for ease of use, speed …

PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data

X Qiu, JW Thompson, SJL Billinge - Journal of Applied …, 2004 - scripts.iucr.org
The pair distribution function (PDF) reveals directly in real space the interatomic distances in
a material. Recent applications have proved the PDF technique to be a powerful local …

Improved measures of quality for the atomic pair distribution function

PF Peterson, ES Božin, T Proffen… - Journal of applied …, 2003 - scripts.iucr.org
The introduction of neutron spallation-source instruments, such as the General Materials
Diffractometer (GEM) at ISIS, allows measurement of pair distribution function (PDF) data at …

PDFgetN3: atomic pair distribution functions from neutron powder diffraction data using ad hoc corrections

P Juhás, JN Louwen, L Eijck, ETC Vogt… - Journal of Applied …, 2018 - scripts.iucr.org
PDFgetN3, a new software tool for the extraction of pair distribution functions (PDFs) from
neutron powder diffraction intensity data, is described. Its use is demonstrated with constant …

Powder3D: An easy to use program for data reduction and graphical presentation of large numbers of powder diffraction patterns

B Hinrichsen, RE Dinnebier, M Jansen - Z Kristallogr, 2006 - degruyter.com
The presented software facilitates data reduction of multiple powder diffraction patterns.
Many operations are automated for the application to huge sets of patterns collected during …

Pushing data quality for laboratory pair distribution function experiments

SLJ Thomae, N Prinz, T Hartmann, M Teck… - Review of Scientific …, 2019 - pubs.aip.org
Over the last decade, some studies with laboratory pair distribution function (PDF) data
emerged. Yet, limited Qmax or instrumental resolution impeded in-depth structural …

[HTML][HTML] A cloud platform for atomic pair distribution function analysis: PDFitc

L Yang, EA Culbertson, NK Thomas… - … A: Foundations and …, 2021 - scripts.iucr.org
A cloud web platform for analysis and interpretation of atomic pair distribution function (PDF)
data (PDFitc) is described. The platform is able to host applications for PDF analysis to help …

Applications of principal component analysis to pair distribution function data

KW Chapman, SH Lapidus, PJ Chupas - Journal of Applied …, 2015 - scripts.iucr.org
Developments in X-ray scattering instruments have led to unprecedented access to in situ
and parametric X-ray scattering data. Deriving scientific insights and understanding from …

PDFgetX: a program for obtaining the atomic pair distribution function from X-ray powder diffraction data

IK Jeong, J Thompson, T Proffen… - Journal of Applied …, 2001 - scripts.iucr.org
For many materials with disorder, the local structure information is important in
understanding their physical properties. However, the conventional crystal structure …