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Discussion on a new item for the core CIF dictionary

  • To: Distribution list of the IUCr COMCIFS Core Dictionary Maintenance Group <coredmg@iucr.org>
  • Subject: Discussion on a new item for the core CIF dictionary
  • From: David Brown <idbrown@mcmaster.ca>
  • Date: Mon, 30 Sep 2013 12:14:33 -0400
Dear Colleagues,

This email is being circulated to the core CIF Dictionary Management Group for comment and possible approval.

Brian Toby has suggested the addition of a new item for the core CIF dictionary.  This is diffrn_radiation_wavelength_type.  The proposed description is:

data_diffrn_radiation_wavelength_type
    _name                      '_diffrn_radiation_wavelength_type'
    _category                    diffrn_radiation_wavelength
    _type                        char
    _list                        both
    _list_reference            '_diffrn_radiation_wavelength_id'
    loop_ _example               'Cu K\a'        'Cu K\a~1~'
                                 'Cu K-L~2,3~'   white-beam
    _definition
;              The type of the radiation. This is used to give a description
               of the nature of the radiation corresponding to
               a particular wavelength used in the diffraction pattern. 
               It is typically a description of the X-ray wavelength in Siegbahn
               notation.
;

This item contains the same information as _diffrn_radiation_type which cannot be looped.  By adding _*_type to the diffrn_radiation_wavelength category it becomes possible to loop the radiation type together with the corresponding wavelength, viz:

_loop
      _diffrn_radiation_wavelength_id
      _diffrn_radiation_wavelength
      _diffrn_radiation_wavelength_type
      1   1.54056 'K\\a~1~'
      2   1.54439 'K\\a~2~'


This item will be open for review for six weeks ending on 11 November 2013. Comments should be send to the core CIF dmg at coredmg@iucr.org.   If no comments are received by that time it will be assumed that there are no objections and this item will be added to the core CIF dictionary.

David Brown
Chair Core CIF Dictionary Management Group



 
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fn:I.David Brown
n:Brown;I.David
org:McMaster University;Brockhouse Institute for Materials Research
adr:;;King St. W;Hamilton;Ontario;L8S 4M1;Canada
email;internet:idbrown@mcmaster.ca
title:Professor Emeritus
tel;work:+905 525 9140 x 24710
tel;fax:+905 521 2773
version:2.1
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