A new powder auto-indexing method for the CONOGRAPH software Oishi-Tomiyasu (2013). Acta Cryst. A69, 603-610 can carry out exhaustive powder auto-indexing in a short time, even if the q values of many peaks are used, with sufficient consideration given to their observational errors. This article explains that the use of many q values is essential to make powder auto-indexing robust against dominant zones and missing or false peaks in the input. Results from CONOGRAPH for 25 real diffraction patterns, including difficult cases, are presented. Owing to a sorting criterion for zones defined in the previous article, the computation times were reduced by a factor of between 18 and 250, and exhaustive powder auto-indexing was completed in 5 min at most.
%0 Journal Article
%1 Oishi-Tomiyasu2014
%A Oishi-Tomiyasu, R.
%D 2014
%I International Union of Crystallography
%J Journal of Applied Crystallography
%K conograph powder-diffraction powder-indexing
%N 2
%P 593--598
%R 10.1107/s1600576714000922
%T Robust powder auto-indexing using many peaks
%U http://dx.doi.org/10.1107/s1600576714000922
%V 47
%X A new powder auto-indexing method for the CONOGRAPH software Oishi-Tomiyasu (2013). Acta Cryst. A69, 603-610 can carry out exhaustive powder auto-indexing in a short time, even if the q values of many peaks are used, with sufficient consideration given to their observational errors. This article explains that the use of many q values is essential to make powder auto-indexing robust against dominant zones and missing or false peaks in the input. Results from CONOGRAPH for 25 real diffraction patterns, including difficult cases, are presented. Owing to a sorting criterion for zones defined in the previous article, the computation times were reduced by a factor of between 18 and 250, and exhaustive powder auto-indexing was completed in 5 min at most.
@article{Oishi-Tomiyasu2014,
abstract = {{A new powder auto-indexing method for the CONOGRAPH software [Oishi-Tomiyasu (2013). Acta Cryst. A69, 603-610] can carry out exhaustive powder auto-indexing in a short time, even if the q values of many peaks are used, with sufficient consideration given to their observational errors. This article explains that the use of many q values is essential to make powder auto-indexing robust against dominant zones and missing or false peaks in the input. Results from CONOGRAPH for 25 real diffraction patterns, including difficult cases, are presented. Owing to a sorting criterion for zones defined in the previous article, the computation times were reduced by a factor of between 18 and 250, and exhaustive powder auto-indexing was completed in 5 min at most.}},
added-at = {2019-03-11T21:00:05.000+0100},
author = {Oishi-Tomiyasu, R.},
biburl = {https://www.bibsonomy.org/bibtex/27751fb007240ede6a61e3b4700db42a3/fairybasslet},
citeulike-article-id = {13051525},
citeulike-linkout-0 = {http://dx.doi.org/10.1107/s1600576714000922},
citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S1600576714000922},
day = 01,
doi = {10.1107/s1600576714000922},
interhash = {f0394f67e167c3459877fef46036ecb9},
intrahash = {7751fb007240ede6a61e3b4700db42a3},
issn = {1600-5767},
journal = {Journal of Applied Crystallography},
keywords = {conograph powder-diffraction powder-indexing},
month = apr,
number = 2,
pages = {593--598},
posted-at = {2015-06-26 09:49:55},
priority = {2},
publisher = {International Union of Crystallography},
timestamp = {2019-03-11T21:06:37.000+0100},
title = {{Robust powder auto-indexing using many peaks}},
url = {http://dx.doi.org/10.1107/s1600576714000922},
volume = 47,
year = 2014
}