Another profile question

2008-12-04 Thread Stuart Miller
Hi All, I was wondering if there are any prohibited values which can be obtained by refining a profile type in GSAS. i.e. any values which are unrealistic for L11 L12 etc? Kind regartds Stu Dr. Stuart Miller Wright Research Group School of Chemistry Puride Building University o

RE: macro's in TOPAS

2008-12-04 Thread AlanCoelho
Hi Ross There's no way of outputting a selection of hkls; it's all or none. You can however omit hkls at the start of the refinement; ie. omit_hkls = And(H, K, Mod(L, 2)); omit_hkls = H > 10; etc... You can use this in an indirect manner to first refine using all hkls an

Re: Structure of YbAlO3 _ Pbnm

2008-12-04 Thread Alan Hewat
Hi Giuseppe, Your email to the Rietveld list was automatically rejected because you are subscribed to the list as <[EMAIL PROTECTED]> Your new address <[EMAIL PROTECTED]> is not recognised even if you still receive emails to the old address by re-direction :-) I will see if I can change your addre

macro's in TOPAS

2008-12-04 Thread Ross Williams
Dear All, I am trying to write a macro in TOPAS (version 4) to output the intensities of specific reflections for each phase, for the purposes comparing multiple structures of the same phase from the literature. To date I have been able to achieve this by using the following macro which output