is FWHM in GSAS given in rad or degree? And how i convert FWHM in integral
breadth, with following formulas?
Gauss:
ß=fwhm*pi/2
Lorenz
ß=((pi/ln2)^0.5)*fwhm)/2
and from GSAS manual
ß=((8*ln2)*fhwm^2)^0.5
which i have to use?
Stefan
____________________________________________________________________________
Stefan Berger
INNOVENT e.V.
Technologieentwicklung Jena
Abteilung Biomaterialien
Prüssingstraße 27b
07745 Jena
Tel. +49 3641 2825 - 43 / -20
<<mailto:[EMAIL PROTECTED]>>
____________________________________________________________________________
-----Ursprüngliche Nachricht-----
Von: Whitfield, Pamela [mailto:[EMAIL PROTECTED]
Gesendet: Freitag, 30. Juni 2006 15:26
An: [email protected]
Betreff: RE: Crystal size in GSAS
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: [email protected]
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: [email protected]
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 : [email protected]
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
