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INTERNATIONAL TABLES for CRYSTALLOGRAPHY |
Volume G |
Definition and Exchange of Crystallographic Data |
Definition:
Classification of a reflection so as to indicate its status with respect to inclusion in the refinement and the calculation of R factors.
Type: ucode
Mandatory item: no
Alias:|
o | satisfies _refine.ls_d_res_high, satisfies _refine.ls_d_res_low, observed by _reflns.observed_criterion, not flagged as systematically absent, not flagged as unreliable |
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< | satisfies _refine.ls_d_res_high, satisfies _refine.ls_d_res_low, unobserved by _reflns.observed_criterion, not flagged as systematically absent, not flagged as unreliable |
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- | systematically absent reflection |
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x | unreliable measurement -- not used |
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h | does not satisfy _refine.ls_d_res_high |
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l | does not satisfy _refine.ls_d_res_low |
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f | satisfies _refine.ls_d_res_high, satisfies _refine.ls_d_res_low, observed by _reflns.observed_criterion, not flagged as systematically absent, not flagged as unreliable, excluded from refinement so as to be included in the calculation of a 'free' R factor |
Category: refln
Copyright © 2005 International Union of Crystallography