Hi Tamas, You have a rather old version of Artemis (the current version is 0.6.009, and I wrote the tutorial with 0.6.008). Download the new version and you'll find that Artemis automatically generates a set of "Guess" variables that are reasonable to start with (unless someone changes the option described in your second paragraph.) Also, this is a good time to mention something Bruce pointed out to me. He said: "2. The first project is nice because it starts blank and walks the user through importing data and feff paths. The second project is a bit confusing because the data and feff path have to be changed from what they were on your computer to what they are on the users computer. It would be useful to start the journal with a note about that." To do this, highlight the FEFF calculation in the "Data & Paths" panel and use the option under the FEFF menu to "Change Path to FEFF", then highlight ZnO.chi and use the option under Data to "Change data file." --Scott In a message dated 11/26/03 4:29:53 PM, tamas.varga@chemistry.gatech.edu writes:
I'm doing Scott's posted tutorial on ZnO and found that the step-by-step instructions in the journal for the first project part (very first fitting) don't contain the step of creating guess parameters (amp, E0, etc.) and giving a value to them. After selecting the R range, the tutorial goes right to hitting the "Fit" button. I think this step (defining guess and path parameters) is imporant to indicate for beginners. Also, the tutorial says: "If the fit does not appear to match what is described below, go to Settings, then Edit Preferences, autoparams, do_autoparams, and check the red box. Save changes for future sessions, then Quit Artemis without saving the project and start again. If you are using a copy of Artemis which belongs to someone else, change it back later so they don't yell at you." I could not find the Edit Preferences option under Settings at all. Is this a problem with my version (0.6.005)/copy?