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Direct Methods in powder diffraction - applications

Chapter
Publication Date:
2002
abstract:
This chapter focuses on the performance of a particular software package, EXPO, against a wide range of test datasets. In EXPO, the intensity extraction and Direct methods stages are intimately linked to help overcome the reflection overlap problem. Various strategies, such as calculating Patterson information in real space to provide additional input to the extraction stage, are outlined and their beneficial effects in terms of improving the quality of the extracted intensities are listed. A short list of the main pitfalls that a Direct methods user has to avoid when using powder data is also provided.
Iris type:
02.01 Contributo in volume (Capitolo o Saggio)
Keywords:
Direct methods; EXPO; intensity extraction; Patterson information
List of contributors:
Giacovazzo, Carmelo; Guagliardi, Antonietta; Altomare, Angela; Moliterni, Anna; Rizzi, Rosanna; Carrozzini, Benedetta; Cascarano, GIOVANNI LUCA
Authors of the University:
ALTOMARE ANGELA
CARROZZINI BENEDETTA
GUAGLIARDI ANTONIETTA
MOLITERNI ANNA
RIZZI ROSANNA
Handle:
https://iris.cnr.it/handle/20.500.14243/141775
Book title:
Structure Determination from Powder Diffraction Data
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