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New techniques for indexing: N-TREOR in EXPO

Academic Article
Publication Date:
2000
abstract:
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.
Iris type:
01.01 Articolo in rivista
List of contributors:
Guagliardi, Antonietta; Altomare, Angela; Moliterni, Anna; Rizzi, Rosanna
Authors of the University:
ALTOMARE ANGELA
GUAGLIARDI ANTONIETTA
MOLITERNI ANNA
RIZZI ROSANNA
Handle:
https://iris.cnr.it/handle/20.500.14243/208463
Published in:
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Journal
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