area under the curve in Pawley refinement

Subhadip_argonne

I realize that we cannot use weight_percent for Pawley refinement. But is there anything that gives the area under each calculated curve, say if I have three different hkl_Is phases?

johnsoevans

Don't know off hand. However you can apply a scale factor to a hkl_Is phase to allow you to do semiquant work. There are examples in the techref. With a three phase problem you might be able to fit peaks from regions where you have a pure sample, then fix individual intensities and use an overall scale factor for other patterns. It's related to the PONKCS approach.