New techniques for indexing:: N-TREOR in EXPO

被引：179
作者：
Altomare, A
Giacovazzo, C
Guagliardi, A
Moliterni, AGG
Rizzi, R
Werner, PE
机构：
[1] Univ Bari, Dipartimento Geomineral, IRMEC, I-70125 Bari, Italy
[2] Stockholm Univ, Dept Struct Chem, Arrhenius Lab, S-10691 Stockholm, Sweden
来源：
JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2000年 / 33卷
关键词：
D O I：
10.1107/S0021889800006427
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Indexing of a powder diffraction pattern is still a critical point in procedures aiming at solving crystal structures from powder data. New code has been associated to the program TREOR90 in order to define an efficient peak search procedure, to modify the crystallographic decisions coded into TREOR90 to make it more exhaustive, to refine the selected unit cell automatically, and to make the entire procedure user friendly, via a graphical interface. The new program, called N-TREOR, has been integrated into the package EXPO to create a suite of programs able to provide a structural model from the analysis of the experimental pattern. N-TREOR is also available as a stand-alone program.
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收藏
页码：1180 / 1186
页数：7
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