4.4. Electron density dictionary (rhoCIF)
P. R. Mallinson
Abstract
This chapter presents the contents of the electron density CIF dictionary (rhoCIF).
The data names defined in the rhoCIF dictionary complement those of the coreCIF dictionary and should be used to record the results of experimental measurements of electron density in a crystal structure, as well as to represent theoretical electron density fitted to an appropriate model.
Version 1.0.1 of the rhoCIF dictionary contains definitions for 57 data items grouped in three categories (including two categories that do not appear in the coreCIF dictionary).
rhoCIF dictionaryReferences
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