Crystallographic Information Framework

[CIF logo]

Index

Macromolecular dictionary (mmCIF) version 2.0.09

Category PHASING_MAD_SET

Name:
'phasing_MAD_set'

Description:

   Data items in the PHASING_MAD_SET category record
   details about the individual data sets used in a MAD phasing
   experiment.

Example:

Example 1 - based on a paper by Shapiro et al. [Nature (London) (1995), 374, 327-337]. 
 
    loop_
    _phasing_MAD_set.expt_id
    _phasing_MAD_set.clust_id
    _phasing_MAD_set.set_id
    _phasing_MAD_set.wavelength
    _phasing_MAD_set.wavelength_details
    _phasing_MAD_set.d_res_low
    _phasing_MAD_set.d_res_high
    _phasing_MAD_set.f_prime
    _phasing_MAD_set.f_double_prime
      1 '4 wavelength' aa 1.4013 'pre-edge'        20.00   3.00
                                                  -12.48   3.80
      1 '4 wavelength' bb 1.3857 'peak'           20.00   3.00
                                                  -31.22  17.20
      1 '4 wavelength' cc 1.3852 'edge'            20.00   3.00
                                                  -13.97  29.17
      1 '4 wavelength' dd 1.3847 'remote'          20.00   3.00
                                                   -6.67  17.34
      1 '5 wavelength' ee 1.3857 'ascending edge'  20.00   3.00
                                                  -28.33  14.84
      1 '5 wavelength' ff 1.3852 'peak'            20.00   3.00
                                                  -21.50  30.23
      1 '5 wavelength' gg 1.3847 'descending edge' 20.00   3.00
                                                  -10.71  20.35
      1 '5 wavelength' hh 1.3784 'remote 1'        20.00   3.00
                                                  -14.45  11.84
      1 '5 wavelength' ii 1.2862 'remote 2'        20.00   3.00
                                                   -9.03   9.01
      2 '5 wavelength' jj 0.7263 'pre-edge'        15.00   1.90
                                                  -21.10   4.08
      2 '5 wavelength' kk 0.7251 'edge'            15.00   1.90
                                                  -34.72   7.92
      2 '5 wavelength' ll 0.7248 'peak'            15.00   1.90
                                                  -24.87  10.30
      2 '5 wavelength' mm 0.7246 'descending edge' 15.00   1.90
                                                  -17.43   9.62
      2 '5 wavelength' nn 0.7217 'remote'          15.00   1.90
                                                  -13.26   8.40


Category groups:
    inclusive_group
    phasing_group
Category keys:
    _phasing_MAD_set.expt_id
    _phasing_MAD_set.clust_id
    _phasing_MAD_set.set_id
    _phasing_MAD_set.wavelength

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.