CrystalDiffract lets you edit the data points for an observed pattern. You can also add new data points, or delete existing ones. You also have the option of scaling the entire pattern: x-values (e.g., to convert units) and y-values (e.g., so that the intensity range matches that of a simulation).

Edit an existing observed pattern Show

Do the following:

  1. Select the diffraction pattern whose data you wish to edit. (To do this, locate the pattern's name in the Patterns list and click on it so that the row is shown highlighted. Note that only one pattern may be edited at a time.)

  2. Choose: Edit > Observed Data (or right-click in the Patterns List and choose: Edit Observed Data.) The data editor window (or sheet, on the Mac) appears.

  3. Use the + and - buttons to add or remove data points. Click on x or y values to edit them. Note that you can rearrange your list by dragging-and-dropping rows into new locations in the table.

  4. Click the window's OK button to replot your diffraction pattern.

Rescale all x-values Show

Do the following:

  1. Select the diffraction pattern whose data you wish to edit.

  2. Choose: Pattern > Scale X-Values. A sheet/dialog appears.

  3. Enter the scale factor you wish to apply to your x-values, and click the OK button to replot.

    Note that the x-values in the observed pattern will all be changed by this procedure - as you will see if you try to edit the datapoints.

Apply a scaling factor to the y-values Show

Do the following:

  1. Select the diffraction pattern(s) whose data you wish to edit.

  2. Locate the Position & Scale group in the Format List.

  3. Set the Y Scale checkbox; the scale slider and text box are now enabled.

  4. Adjust the Y-scale using the slider control or its text box.

    Note that, unlike with the X-scaling (described above), applying a Y-scale does not directly change your observed data values. Instead, a scale factor is applied during plotting.

Apply an x- or y-offset to the pattern Show

Do the following:

  1. Select the diffraction pattern(s) whose data you wish to edit.

  2. Locate the Position & Scale group in the Format List.

  3. Adjust the X Offset or Y Offset controls.

See Also

Using the Inspector

Scrolling and zooming

Stacking patterns