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Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category PHASING_MIR_DER_SHELL

Name:
'phasing_MIR_der_shell'

Description:

   Data items in the PHASING_MIR_DER_SHELL category record
   statistics, broken down into shells of resolution, for an MIR
   phasing experiment.

   This list may contain information from a number of different
   derivatives; _phasing_MIR_der_shell.der_id indicates to which
   derivative a given record corresponds. (A derivative in this
   context does not necessarily equate with a data set; see the
   definition of the PHASING_MIR_DER category for a
   discussion of the meaning of derivative.)

Example:

Example 1 - based on a paper by Zanotti et al. [J. Biol. Chem. (1993), 268, 10728-10738] with addition of an arbitrary low-resolution limit. 
 
    loop_
    _phasing_MIR_der_shell.der_id
    _phasing_MIR_der_shell.d_res_low
    _phasing_MIR_der_shell.d_res_high
    _phasing_MIR_der_shell.ha_ampl
    _phasing_MIR_der_shell.loc
     KAu(CN)2  15.0  8.3   54   26
     KAu(CN)2   8.3  6.4   54   20
     KAu(CN)2   6.4  5.2   50   20
     KAu(CN)2   5.2  4.4   44   23
     KAu(CN)2   4.4  3.8   39   23
     KAu(CN)2   3.8  3.4   33   21
     KAu(CN)2   3.4  3.0   28   17
     KAu(CN)2  15.0  3.0   38   21
     K2HgI4    15.0  8.3  149   87
     K2HgI4     8.3  6.4  121   73
     K2HgI4     6.4  5.2   95   61
     K2HgI4     5.2  4.4   80   60
     K2HgI4     4.4  3.8   73   63
     K2HgI4     3.8  3.4   68   57
     K2HgI4     3.4  3.0   63   46
     K2HgI4    15.0  3.0   79   58
     K3IrCl6   15.0  8.3   33   27
     K3IrCl6    8.3  6.4   40   23
     K3IrCl6    6.4  5.2   31   22
     K3IrCl6    5.2  4.4   27   23
     K3IrCl6    4.4  3.8   22   23
     K3IrCl6    3.8  3.4   19   20
     K3IrCl6    3.4  3.0   16   20
     K3IrCl6   15.0  3.0   23   21


Category groups:
    inclusive_group
    phasing_group
Category keys:
    _phasing_MIR_der_shell.der_id
    _phasing_MIR_der_shell.d_res_low
    _phasing_MIR_der_shell.d_res_high

Mandatory category: no


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.