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Solve a small-molecule structure: Difference between revisions
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→Finishing the structure
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ANIS | ANIS | ||
line into 56.ins . More info about refinement options is in the [[SHELXL]] article! | line into 56.ins . More info about refinement options is in the [[SHELXL]] article! | ||
== Electron density == | |||
The figure shows the final electron density (blue), but with an O atom refined as N. This gives strong positive (green) difference electron density. | |||
[[File:Diffden.png]] | |||
The difference map also shows distinct bonding electron density on most of the bonds. | |||