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Re: [ddlm-group] CIF-2 changes

Surely dREL is not compromised by what have been used as datanames in the past.  dREL apppears only in CIF2 dictionaries and uses only the standard datanames that appear in the CIF2 dictionaries.  The only place where it is necessary to be concerned about [] and / appearing in datanames is when reading in CIF1 data files.  All the datanames that appear in the  CIF1 dictionaries are aliased in the CIF2 dictionaries.  This means that the the abilitiy to read datanames containing [] and / is only required when reading in CIF1 data files, not when reading dictionaries (the old datanames only appear in CIF2 dictionaries as delimited values in the _alias loops).  At the point where the CIF value of _sint/lambda is read in, its internal name has in any case to be equivalenced to the CIF2 dictionary name (_sintoverlambda) which is data name used in the dREL stantements.  Thus we are still free to place any limitations we choose on the datanames used in dREL (except for _ and . which, being punctuation, may cause problems with the names used in programming languages).  However, the CIF2 dictionaries also define a _description.common dataname that contains only letters (and numbers?) and these names could be used just as easily in dREL if that were an advantage.

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

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