Dear Ramadas, Sometimes getting a Rietveld refinement to start is hard. You might try "guessing" at what you think the scale ought to be (relative peak heights would do) and set it to that value and not refine it (i.e. turn off the refine flag). Then you might see what is really wrong (misset lattice parameters?) that is keeping the refinement from starting. After getting that straightened out then turn back on the scale refinement flag. Bob Von Dreele
R.B. Von Dreele IPNS Division Argonne National Laboratory Argonne, IL 60439-4814 -----Original Message----- From: Ramadas Sunil Pophale [mailto:[EMAIL PROTECTED] Sent: Friday, December 14, 2007 2:02 PM To: rietveld_l@ill.fr Subject: scaling up the calculated peaks Hello everyone, I am using GSAS for refinement of a zeolite + template assembly. During the 1st few cycles of the refinement, the calculated peaks I am getting are very small although apparently in the right positions. The difference between the observed and calculated intensities is almost an order of magnitude. Refining the profile type and coefficients is not making much of a difference. Since I have no clue as to why there is such a difference, I wanted to simply scale up the calculated values to see how they match up with the observed peaks. I tried using powplot and liveplot, but could not figure out a way to do it. Is such thing possible with GSAS? Thanks for your attention. Regards, Ramdas Pophale. ps: I am using the template as part of the phase with bond constraints. Is it reasonable to refine the template along with the zeolite in the early stages?