Edge and Peak Fitting

 

To align the edge and peak of the curve, click on "edit EDGE and PEAK params" on the Main Panel. From the dialogue box that appears, specify the number of pre-edge peaks. Rest of the parameters can be easily altered from the Table of Parameters that appears after hitting "Continue".

 

 

Start with refining the Height of the edge jump by putting 1 in the EPe box as shown. Hit "Refine" from the right side of the EXAFS123 Main Panel.

 

 

View the XANES curve by checking the box next to "XANES" in the EXAFS123 Main Panel. Looking at the green dotted line, it can be assumed that there is one pre-edge peak approximately at -13.5eV.

 

 

To include this pre-edge peak in our calculations, click on "edit EDGE and PEAK params" from the EXAFS123 Main Panel. In the "How many pre-edge peaks?" put "1" and hit continue. The Table of parameters opens. Refer to the XANES curve again and note that the Edge Peak is at -2.5 and the pre-edeg peak is at -13.5. Enter these values in the table as shown below. Refining few parameters at a time gives more accurate results so put "1" for "height of pre edge peak #1" under the "Epe" Column. Hit "Refine" from the EXAFS123 Main Panel.

 

 

Next, put 1 for the position and width of the edge jump and the pre-edge peak and hit refine.