[sdpd] ADS and In2O3 data - XFIT Tutorial

[L.M.D.Cranswick...@dl.ac.uk]

There is now a tutorial on using XFIT to profile
ADS (Automatic Divergence Slit) data in Fundamental
Parameters mode:

 http://www.ccp14.ac.uk/tutorial/xfit-95/ads_funpar.html

While not shown that well in the run-through - there might
be some problems as this is not fitting as well as
it would with fixed slits (but some of the geometry
constants may be off the optimal - plus inexperience
in what to expect with ADS data)

----

A query is: how common is it for the data collection
software to collect ADS data then convert it to
Fixed Slit data.  Would it not be better if the
data is to be stored and transmitted as "fixed
divergence slit" - then to generate it as fixed
divergence slit data?

For peak profiling (such as using Fundamental Parameters)
this could cause problems if people think the data is
fixed slit when it was really generated by Automatic
Divergence Slits?

There is at least one powder binary file format that is
"lossy" with its compression algorithm.  Shouldn't
it be the privilege of the end user to totally
abuse the data - not the programs in between?
(though the tradition in Single Crystal methods
is for both and more to occur?)

Lachlan.


-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick...@dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk