I experienced this problem a few years ago with zeolites and clays. The
biggest problem is that you are essentially refining two different
structures. Not just the temperature factors will be different; most of
your phase-related parameters can be different. The bottom line is that to
do a joint refinement with multiple sets of data, you should have ALL of
your data collected under the same conditions (temperature, pressure,
humidity, etc.). Otherwise you can't do it properly. Good luck.
Dave Bish
>>Hi everybody,
>>
>>I am doing a dual refinement of xray and neutron data using gsas. The
>>xray data was collected at room temperature and the neutron data was
>>collected at 4K. The problem is that the 2 histograms share the same atom
>>parameter file where the temperature factors are located for each atom.
>>Since the different data was collected under such different conditions the
>>temperature factors should be quite different. Is there any way to
>> vary the temperature factors separately for each histogram?
>>
>>thanks,
>>Laurel Basciano
>>
>>
>>
>>
>* Ron Peterson
>* Department of Geological Sciences
>* Queen's University
>* Kingston, ON K7L 3N6
>* Canada
>* Fax: 613-545-6592
>* Tele: 613-545-6180
>
>