Re: Excluding phases from weight percent calculation

2023-11-13 Thread Matthew Rowles
Hi Claire It sounds like you're using the Hill/Howard algorithm for quantification. You just need to not put the details of the SiO2 phase you're using into the summation. This is equivalent to removing the ~90% attributed to the capillary, and renormalising to 100% Matthew On Tue, 14 Nov

Re: Excluding phases from weight percent calculation

2023-11-13 Thread Norberto Masciocchi
Il 13/11/2023 18:35, Claire Emily Boronski ha scritto: Dear Claire, Make the sum of the remaining crystalline weight percentages to be 100%. This is a rough, but simple, calculation. Alternatively, measure an empty capillary and correct the raw data of your mixture for such scattering (taking

Excluding phases from weight percent calculation

2023-11-13 Thread Claire Emily Boronski
Hi All, I am trying to exclude the glass capillary from the weight percent calculations in my Rietveld refinement. I modeled the glass capillary using a SiO2 CIF file and made the crystallite size very small. The issue I am having now is that in the weight percent calculation it is saying the