Ling, Units for all Fourier maps are electrons/A^3, and electrons squared/A^3 for Patterson maps. Maps are computed from the "absolute scale" structure factors. No "rescaling" is needed. Bob Von Dreele
R.B. Von Dreele IPNS Division Argonne National Laboratory Argonne, IL 60439-4814 -----Original Message----- From: Ling Yang [mailto:[EMAIL PROTECTED] Sent: Wednesday, May 09, 2007 11:36 AM To: rietveld_l@ill.fr Subject: RE: new gsas Dear Dr. Von Dreele, What is the unit of scattering length density in GSAS from the Fourier output, for different types of Fourier maps respectively? Sometimes huge values are obtained for Patterson plot. Is there a way to normalized the values, for example, to number of electrons/A^3? Many thanks. Sincerely, Ling Yang -----Original Message----- From: Von Dreele, Robert B. [mailto:[EMAIL PROTECTED] Sent: Thursday, May 03, 2007 5:26 PM To: rietveld_l@ill.fr Subject: new gsas Hi All, New versions of GSAS for Windows and Fedora-5 have been placed on the CCP14 web server. The changes are as follows: May 2, 2007 1. A new record in the .EXP file has been defined: 'HSTnn NFOBS' the number of observed reflections for each phase in a histogram. 2. REFLIST now can prepare a 'hkl' file suitable for the protein software CNS. Apr. 14, 2007 1. Fix bug in reading 'ALT' style raw powder data. Other types read correctly. 2. Fix bug in output for .PVE files; the cell angles were missing. 3. Modify SeqGSAS so that it can process data sets in reverse and over limited sets of data. Some small changes to Seqplot. As usual let me know of bugs, "features", etc. you may find. The RedHat Enterprise & MacOSX versions will be made later. Best, Bob Von Dreele
