Abstract
A fast method for indexing powder diffraction patterns has been developed for large and small lattices of all symmetries. The method is relatively insensitive to impurity peaks and missing highd-spacings: on simulated data, little effect in terms of successful indexing has been observed when one in threed-spacings are randomly removed. Comparison with three of the most popular indexing programs, namelyITO,DICVOL91andTREOR90, has shown that the present method as implemented in the programTOPASis more successful at indexing simulated data. Also significant is that the present method performs well on typically noisy data with large diffractometer zero errors. Critical to its success, the present method uses singular value decomposition in an iterative manner for solving linear equations relatinghklvalues tod-spacings.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
