References

The following publications describe DiffPy software packages. Please cite the appropriate papers if you use these tools in your research. For other DiffPy packages not listed here, please refer to the respective GitHub repository for any relevant publications to cite.

diffpy.cmi

P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge, Complex modeling: a strategy and software program for combining multiple information sources to solve ill posed structure and nanostructure inverse problems, Acta Crystallogr. A 71, 562-568 (2015). downloadJuhasJac15

diffpy.pdfgui, diffpy.pdffit2

C. L. Farrow, P. Juhás, J. W. Liu, D. Bryndin, E. S. Božin, J. Bloch, Th. Proffen and S. J. L. Billinge, PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals, J. Phys.: Condens. Mat. 19, 335219 (2007) downloadFarrowJpcm07

PDFgetX3, PDFgetN3

P. Juhás and T. Davis, C. L. Farrow, S. J. L. Billinge, PDFgetX3: A rapid and highly automatable program for processing powder diffraction data into total scattering pair distribution functions, J. Appl. Crystallogr. 46, 560-566 (2013) downloadJuhasJac13

P. Juhás, J. N. Louwen, L. van Eijck, E. T. C. Vogt, S. J. L. Billinge, PDFgetN3: atomic pair distribution functions from neutron powder diffraction data using ad hoc corrections, J. Appl. Crystallogr., 51, 1492–1497 (2018) downloadJuhasJac18

diffpy.srmise

L. Granlund, S. J. L. Billinge and P. M. Duxbury, Algorithm for systematic peak extraction from atomic pair distribution functions, Acta Crystallogr. A 71, 392-409 (2015). downloadGranlundAca15

PDFfit

Th. Proffen and S. J. L. Billinge, PDFFIT a program for full profile structural refinement of the atomic pair distribution function, J. Appl. Crystallogr. 32, 572 (1999) downloadProffenJac99

sasPDF

CH Liu, E. Janke, R. Li, P. Juhás, O. Gang, D. V. Talapin, S. J. L. Billinge, sasPDF: pair distribution function analysis of nanoparticle assemblies from small-angle-scattering data. downloadLiuJac20

xINTERPDF

C. Shi, xINTERPDF: a graphical user interface for analyzing intermolecular pair distribution functions of organic compounds from X-ray total scattering data, J. Appl. Crystallogr. 51, 1498-1499 (2018) downloadShiJac18