Dear list members, We have been refining some synchrotron X-rays diffraction data collected at constant steps in Q space using GSAS. But due to some funny peakshapes I would like to change to FULLPROF, where more flexible peakshapes are available. But FULLPROF is not accepting data other than constant step in 2theta (as far as I know). I have planned to build a new dataset, with constant 2theta step, by linear interpolation of two observed points of the variable step 2theta data coming from the original diagram. Will this procedure provide me a statistically significant dataset?, in an affirmative case: what number of data-points (or what step in 2theta) should I use for the interpolation? (considering that at low 2theta the Q steps are short and at high 2theta they are longer). Probably there are alternatives that I am not considering. Could anyone give me a hint. Thanks a lot in advance.
Leopoldo Dr. Leopoldo Suescun Laboratorio de Cristalografía, Estado Sólido y Materiales (Cryssmat)/Dequifim Facultad de Química. CC 1157 Av. Gral. Flores 2124 11800 Montevideo, Uruguay http://cryssmat.fq.edu.uy/leopoldo/frame.htm "No venderé el rico patrimonio de los Orientales al bajo precio de la necesidad" José Artigas
