Variable Step Size reference

2022-04-04 Thread francois Goutenoire
Dear Rietveld users, I am currently looking for a reference for the strategy of collecting XRD data on lab diffractometer. With the help of new diffractometers we can collect the data in the VCT (Variable Counting Time). This last method has been studied by IC Madsen and RJ Hill (1994). No

RE: Variable Step Size reference

2022-04-04 Thread Jan Rohlíček
Dear Francois, I know this one: Routine ab initio structure determination of chlorothiazide by X-ray powder diffraction using optimised data collection and analysis strategies Kenneth Shankland,* William I. F. David and Devinderjit S. Sivia J. Mater. Chem., 1997, 7(3), 569–572 https://doi.org/10

Re: Variable Step Size reference

2022-04-04 Thread Andrew FITCH
I don't think that varying the step size is particularly useful. The FWHM usually increases with angle for sure, but so does the number of peaks per degree, so you want the finest step to stand a chance of seeing any subtleties in the profile due to overlapping peaks. I think it's more useful t