Journal article icon

Journal article

CRYSTALS enhancements: dealing with hydrogen atoms in refinement

Abstract:
Because they scatter X-rays weakly, H atoms are often abused or neglected during structure refinement. The reasons why the H atoms should be included in the refinement and some of the consequences of mistreatment are discussed along with selected real examples demonstrating some of the features for hydrogen treatment that can be found in the software suite CRYSTALS.
Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

Actions


Access Document


Files:
Publisher copy:
10.1107/S0021889810025598

Authors


More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
Role:
Author
More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
Role:
Author
More by this author
Institution:
University of Oxford
Department:
Mathematical,Physical & Life Sciences Division - Chemistry - Chemistry Research Laboratory
Role:
Author
Publisher:
International Union of Crystallography Publisher's website
Journal:
Journal of Applied Crystallography Journal website
Volume:
43
Issue:
5 (1)
Pages:
1100-1107
Publication date:
2010-10-05
DOI:
ISSN:
0021-8898
URN:
uuid:c194960b-75bf-4e8f-8e4c-9e6f7969fcc7
Local pid:
ora:4841

Terms of use


Metrics


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP