Dear Brian, Thanks for your reply, that must be the explanation, but I am not quite sure of how to filter these sites from those of interest (since I dont know where they are)? I could just try all of them but I am sure that's not the ideal method.
Best regards, Irvin -----Original Message----- From: Brian H. Toby [mailto:[EMAIL PROTECTED] Sent: Thu 22/11/2007 14:36 To: rietveld_l@ill.fr Subject: Re: Difference Fourier Map/GSAS Are you sure that you are not looking at parts of the unit cell that are symmetry-equivalent to the peaks found in FORSRH? You can also use the FORPLOT program to make 2-D plots to confirm that what FOX (or equivalently DRAWxtl) shows agrees with the internal GSAS representation. Brian On Nov 22, 2007, at 8:19 AM, Telepeni Irvin wrote: > Hi Vincent, > > I meant: > > (2) that the positions of your Fourier difference peaks are not the > ones you > see by looking a the 3D Fourier difference map (exported from gsas) > in Fox ? > > I guess I am using the latest version of both since I reinstalled > everything just to make I was missing something important. > > Even when I put D where GSAS thinks it should be (and where I hope > it should be as well), then it turns out that this site or those > sites are hardly occupied (and they are those to be supposingly > where the scattering is from). > > Cheers > > Irvin > > > > > This message has been checked for viruses but the contents of an > attachment may still contain software viruses, which could damage > your computer system: you are advised to perform your own checks. > Email communications with the University of Nottingham may be > monitored as permitted by UK legislation. > ******************************************************************** Brian H. Toby, Ph.D. office: 630-252-5488 Materials Characterization Group Leader, Advanced Photon Source 9700 S. Cass Ave, Bldg. 433/D003 work cell: 630-327-8426 Argonne National Laboratory secretary (Marija): 630-252-5453 Argonne, IL 60439-4856 e-mail: brian dot toby at anl dot gov ******************************************************************** This message has been checked for viruses but the contents of an attachment may still contain software viruses, which could damage your computer system: you are advised to perform your own checks. Email communications with the University of Nottingham may be monitored as permitted by UK legislation.
