100+ Rigid group constraints PowerPoint (PPT) Presentations, Rigid group constraints PPTs

Rigid group constraints - PowerPoint PPT Presentation

Parameters

Parameters. For every atom: x, y, z coordinates and one (isotropic) or six (anisotropic) displacement parameters. For every structure: overall scale factor osf (first FVAR). Possibly additional scale factors (BASF, EXTI, SWAT, etc.). Possibly a Flack-x-parameter. .

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Data Flow

Information about Laue symmetry or lattice centering. SMART. SADABS. SAINT. copy to sad.p4p. XPREP. SHELX. Editor or XP. Data Flow. 04000-n.xxx 04000-1.p4p. 04000-n.raw 04000-n._ls 04000-m.p4p. sad.hkl sad.abs. sad.prp name.ins name.hkl. name.ins. name.res

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Rigid group constraints - PowerPoint PPT Presentation

Parameters

Data Flow