Dear Jin I guess that the referee is asking you to think about the sources of error in your experiment beyond the reported statistical errors quoted by the refinement software. The quoted errors in the refinement are no indication of reproducibility, which will also depend upon a number of systematic errors that affect the accuracy of your results but not their precision. Given your data are from both XRD and neutron experiments, however, you should have a better handle on this than many would be able to obtain. What is the difference in refined parameters when you carry out refinements on X-ray and neutron data separately, for example? What is the influence of sample geometry on your refined parameters (assuming that they are different geometries). Your neutron data may well have many more high-Q reflections but may have lower instrumental resolution, while you X-ray data will have (possibly) higher Q-space resolution but lower real space resolution (scattering factor fall off). All of this allows you to say something sensible about the sources of confidence in your quoted numbers.
Simon Redfern > On 20 Feb 2017, at 03:44, Peng, Jin <jpe...@tulane.edu> wrote: > > Dear all, > > I was required by an referee to “provide an accurate and thorough accounting > of the experimental error on the lattice parameters”. My lattice parameters > are taken from Rietveld refinement of powder XRD and from Neutron scattering > measurements. I can only get error bars from the fitting program. How should > I account all errors in the experimental process? > > Best! > > Jin Peng > > Nanjing University > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ > Please do NOT attach files to the whole list <alan.he...@neutronoptics.com > <mailto:alan.he...@neutronoptics.com>> > Send commands to <lists...@ill.fr <mailto:lists...@ill.fr>> eg: HELP as the > subject with no body text > The Rietveld_L list archive is on > http://www.mail-archive.com/rietveld_l@ill.fr/ > <http://www.mail-archive.com/rietveld_l@ill.fr/> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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