The weighted function in combined X-ray and neutron refinement

leiw

hi everyone,

Very recently, I have performed combined X-ray and neutron refinement in TOPAS 6. Whether in single data refinement or in combined refinement process, satisfactory index can be achieved. But I not quite sure about the exact weighted function between four datasets (1 PXRD refinement and 3 neutron TOF refinement)?

Best regards,

leiw

alancoelho

Hi Leiw

The default weighting used is:

weighting = 1 / Max(Yobs, 1); ' when SigmaYobs does not exists

or,

weighting = 1 / SigmaYobs^2; ' when SigmaYobs does exists

cheers
alan

leiw

hi Alan,

Thanks for your reply.

leiw