>It seems quite useless at present to use Pawley
>over LeBail extraction if there is
>no software that can make better use of the Pawley data?
>
>Conclusion - Le Bail will be used over Pawley method well
>into the next Millenium? Same goes with Empirical peak
>fitting over Fundamental Parameters?
I hope so.
Intensity ESDs are quite not useful (to my knowledge) for the
Patterson method. They are used for the suppression of
the weak intensities in direct methods, but I would not recommend
this practice. Even when there is overlapping, the weak
intensities estimated either by the Pawley or Le Bail methods
are truly weak, and this is an information to keep. Use Pawley,
Le Bail, or none (i.e. do not extract intensities but use the whole
pattern or part of it), no matter, if the structure is determined before
the next Millenium :-). Anyway, I would not trust ESDs from the
Pawley method when reflections are overlapping, I even would not
trust the intensities, you know... They are false (equipartitionned),
as well as from my method. Who will care about false ESDs and
false intensities, even during the next Millenium ? Transforming
false values into true ones (do you believe it ?) is made by other
methods.
Armel