Modelling hypothetical XRD patterns. Is this even a thing?
May 6, 2012 5:05 AM Subscribe
I'm looking for (preferably free) software that will model X-ray diffractograms for mineral mixes of known quantities. Does such a thing even exist?
posted by Eumachia L F to science & nature (3 answers total) 2 users marked this as a favorite
I have software for displaying and analysing collected patterns, so that's not my problem. I also know about various websites that can provide diffractograms for individual minerals, but I need to create a model of what a diffraction pattern would look like for a mixture of minerals in known quantities.
I've done this kind of thing specifically for clay minerals with NEWMOD
, but I'm looking for something that can handle other common minerals. My internet searching has turned up nothing useful. Any suggestions for specific software packages, online resources, or even workarounds for typical diffractogram display/analysis software? I have PowderX
- maybe there's someway to do it with this that I've not been able to figure out?