From: L.M.D.Cranswick@dl.ac.uk (L. Cranswick) Subject: Re: Koalariet software To: rietveld_l@ill.fr Date: Sat, 28 Nov 1998 16:11:54 +0000 (GMT) Reply-To: RIETVELD_L Distribution List> We have installed the may 1998 version of Xfit-Koalariet for Win95. > After installing we run several of the samples from your tutorial and they > worked fine. Yet we loaded a .xy file of our own data. The Xray powder > pattren was correctly displayed in the coresponding window. Yet when > we try to select diffraction peaks with the ins/del peak tool the > programs does not allow us to do so and instead an error window with the > message "cannot insert peak into this file". > Could you please help us with this problem. This is a limitation with XFIT in that it can only handle constant step data when fitting - but can display non-constant step .xy data. XFIT assumes .xy data is non-constant step data. Can you convert the .xy data into another format such as column CPI, XDD or DAT? Examples of data files are with the distribution or at: http://www.se.iucr.org/iucr-top/comm/cpd/QARR/data-kit.htm http://www.us.iucr.org/iucr-top/comm/cpd/QARR/data-kit.htm http://www.ch.iucr.org/iucr-top/comm/cpd/QARR/data-kit.htm http://www.iucr.org/iucr-top/comm/cpd/QARR/data-kit.htm -- Lachlan M. D. Cranswick Collaborative Computational Project No 14 (CCP14) for Single Crystal and Powder Diffraction Daresbury Laboratory, Warrington, WA4 4AD U.K Tel: +44-1925-603703 Fax: +44-1925-603124 E-mail: l.cranswick@dl.ac.uk Ext: 3703 Room C14 NEW CCP14 Web Domain (Under heavy construction): http://www.ccp14.ac.uk