Original paper
PLATONSQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors
Volume: 71, Issue: 1, Pages: 9 - 18
Published: Jan 1, 2015
Abstract
The completion of a crystal structure determination is often hampered by the presence of embedded solvent molecules or ions that are seriously disordered. Their contribution to the calculated structure factors in the least-squares refinement of a crystal structure has to be included in some way. Traditionally, an atomistic solvent disorder model is attempted. Such an approach is generally to be preferred, but it does not always lead to a...
Paper Details
Title
PLATONSQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors
Published Date
Jan 1, 2015
Volume
71
Issue
1
Pages
9 - 18
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Notes
History