Stephane Just one small point - strictly speaking you should be using integral breadth rather than FWHM for size/strain analysis.
Pam -----Original Message----- From: Von Dreele, Robert B. [mailto:[EMAIL PROTECTED] Sent: June 29, 2006 2:24 PM To: rietveld_l@ill.fr Stephanie, The GSAS routine REFLIST has an option to produce a "single phase ascii" file of reflections. One of the columns in that file is FWHM. Alternatively there is a graphic in EXPGUI (widplt) that will plot FWHM and its Gaussian & Lorentzian contributions as a function of 2-theta. Bob Von Dreele R.B. Von Dreele IPNS Division Argonne National Laboratory Argonne, IL 60439-4814 -----Original Message----- From: ruggeri [mailto:[EMAIL PROTECTED] Sent: Thursday, June 29, 2006 12:17 PM To: rietveld_l@ill.fr Hello, I am trying also to calculate crystal size from GSAS, and I want to find back the fwhm of all the peaks from their position: how is it possible? Thanks Stéphane Ruggeri, Ph.D. Stagiaire post-doctoral INRS Énergie, Matériaux et Télécommunications 1650, boul. Lionel-Boulet Varennes (Québec) J3X 1S2 Téléphone/Office : (450) 929 8139 Télécopieur/Fax : (450) 929-8198 -----Message d'origine----- De : [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] Envoyé : 29 juin 2006 13:31 À : rietveld_l@ill.fr Objet : Crystal size in GSAS Hi, I am wondering if GSAS calculates the crystal size? If not how can I calculate the crystal size? I am using a profile type 3 function (psedo voight) and obtaining the GU,GV,GW values as 0,0, 1.27 E+04 for a Pt/C phase respectively. The Chi-square fit is 2.164. Thankyou. regards, Sajeev Moorthiyedath
