Jean-Marc, if you don't know the structure, you will have to perform some indexing in order to get a unit cell. If the result is not too ambiguous, the simplest way would be to forget about the business to create peak shapes and use a single crystal approach which allows for hkl superposition or, alternatively, ignore positions with ambiguous index and correct the remainder for the multiplicity which is an easy function of hkl. SHELX may be useful, it works with I not F.
best miguel On 23 Jan 2008 at 13:27, Jean-Marc Joubert wrote: > Hello everybody, > > I am looking for a software able to tranform : > - a list of peaks with positions and intensities (coming from an old paper > or from pdf-2 file) > > into > > - a pattern with the peaks at the same positions and with the same > intensities but distributed in 2 theta space with a given line shape and > width, that I could superimpose with different calculated models or even > 'refine' in fullprof > > Note: I do not know the structure, not even the cell so that I cannot > generate the pattern from fullprof or another program > > Thanks in advance. > /Jean-Marc > ---------------------- > Jean-Marc Joubert > Chimie Métallurgique des Terres Rares > Institut de Chimie et des Matériaux Paris-Est > CNRS UMR 7182 > 2-8 rue Henri Dunant 94320 Thiais > phone/fax: 33 1 49 78 12 11/12 03 > email / web : [EMAIL PROTECTED] / http://www.glvt-cnrs.fr/lcmtr > > -- Miguel Gregorkiewitz Dip Scienze della Terra, Università via Laterina 8, I-53100 Siena, Europe fon +39'0577'233810 fax 233938 email [EMAIL PROTECTED]
