[sdpd] Re: Scratch

[Armel Le Bail <armel... @fluo.univ-lemans.fr>]

Lachlan wrote :

>If this is a new robust method for powder indexing, it 
>would be a shame to see it just gathering dust in the 
>printed literture.   One perceived problem with new algorithms
>for structure solution from powder diffraction data is that 
>many of them don't seem to make it beyond the printed word.

That problem would be overcome if some recommendations
to authors were added by J. Appl. Cryst. and others. Something 
like : "Submission of papers dealing with new methods and
softwares will be returned if they are not accompanied with either
a public domain or commercial executable (or the source code)
allowing at least the reviewer to build a serious opinion on the
work."

Do you realize how many new methods and softwares were
only used by their authors, because of this lack of seriousness
of the IUCr journals (and others) ? At least, the structure factors
are sent in a CIF file, just in case the reviewer has any doubt
on some point.

Anyway, the J. Synchrotron Rad. paper (6, 1999, 67-92) reports
about only 2 tests :
         tetragonal Sr with a=5.653 A and c=3.043 A
and orthorhombic GaAs with a=4.968, b=4.773 and c=5.285 A.
Those examples are not what one could design as very
complicated, even if an impurity was present. If genetic
algorithm has a future in indexing, it remains to be 
demonstrated, possibly at Glasgow (science goes slowly
 from a congress to the next, even at Internet time).

Armel