Editing the PCR File

Here we will use FullProf PCR Editor (Graphical User Interface) to edit the PCR file.

  1. Click the ED PCR button in the FullProf Suite Toolbar:

  1. Following window will appear:

  1. Now, go to File >> Open…, a browser window will appear, browse the PCR file which we have created earlier.

  2. Click in the General TAB, give a title (say, CeMg3) and click OK.

  1. Then go to Patterns TAB in the Editor of the PCR File, following window will appear:

  1. Click the Data file/Peak shape button:

  1. Another pop-up window will appear, in the Data File/Format TAB browse the data file, in our case D:\FullProf\CeMg3\CeMg3.dat

  2. Next, go to Refinement/Simulation TAB, put λ2=1.5444 and (I_2/I_1)=0.5 (specific to my case)

  1. Click OK in the Profile Data Information Pattern window.

  2. Now click in the Background Type button in the Pattern Information window, following window will appear, select 6-Coefficients polynomial function and click OK.

  1. Now, click in the Excluded regions button and enter excluded regions in the pop-up window, in our case, 0 - 10 and 80 - 180 are the excluded regions.

  1. Click OK in the Exclude Regions window and in the Patter Information window.

  2. Next, come to the Phases button in the Editor of PCR Files and click Symmetry button in the pop-up

  1. Enter the SpaceGroup information, in our case it is F m -3 m . Click OK >> OK

  2. Now go to Refinement Button >> Instrumental button in the Refinement Information window.

  1. Select the Zero Check box and click OK. First, we are going to refine only the zero point of the detector.

  1. Click OK >> OK and come to the Editor of PCR Files window, go to File >> Save. Now you can exit the Editor window.