Powder X-ray diffraction data format

Dear All, I need a whole set of sample data file in the ICDD *.PD3 format and/or some sample data files which can be converted using the PDF3FC program from the ICDD. In addition, I will appreciate if you can send me any sample data with new format (ASC or Binary with full format descri

Re: GSAS and R(F**2)

Riccardo, There is a easier way to do this -- you can scale the two scans so they are on a common scale, (be sure to scale the standard uncertainties by the same factors). Then that the two scans can be placed in a single histogram. You can then use the "ESD" input format (see p. 217 in the GSAS

RE: crystal structure of Titanium oxide nitride

Dear Susana,   Two good papers on the structural chemistry of TinO2n-1 Magneli phases (4   J. Solid State Chem., 43 (1982) 314. J. Solid State Chem., 44 (1982) 273.   All the best,   Neil.     * Dr. Neil Hyatt. Development Analyst in Powder Diffraction and Electron Microscopy. Londo

crystal structure of Titanium oxide nitride

Dear all,  I need information about crystal structure of Titanium oxide nitride  (TiO0.34N0.74  - PDF- No 44- 0951), and Titanium sub-oxides called Magnéli  phases: composition TinO2n-1 with 9>n>4. Any reference would be useful. Thanks in advance,  Susana  M. Susana Conconi Centro de Tecnol

GSAS and R(F**2)

Dear all, This is an example of the output for a GSAS cycle, using two histograms (two portions of a diffraction spectrum, with different step scan times) Powder data statisticsFitted -Bknd Average Bank Ndata Sum(w*d**2) wRp RpwRp Rp DWd Integ