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First Step Manual Adjustment

Incident intensity and first background parameter

At this point, a few parameters can be adjusted by hand: incident beam intensity and background...

Maud with a calculated spectrum	Manual adjustment of parameter

First, you should calculate a spectrum: in the main Maud window, click the the Calculator icon, and the Maud window should look like this:

• in black: the calculate pattern,
• in blue: the experimental data,

both for the first azimuth. Unless you're really lucky, it's probably very far off...

Now, Maud has a very good function that allows you to manually adjust paramaters and see the effects immediately:

• in the main window, select the Dataset panel, and edit your dataset (click on the eye icon)
• in the dataset window, select the Datafiles panel, and select one of the spectra (any),
• click on View,
• in the View window, select the Tools menu and Change Parameter option,

and you should end up with something like the screen shot that allows you to manually adjust parameters.

In the panel, adjust both

• Intensity (scale factor)
• Background Polynomial Coef 0 of the Dataset

in order to get something reasonable.

You will notice that your peaks do not exactly match the experimental data in terms of

• peak positions,
• peak profiles,
• ratios of intensities,
• high order background parameters...

We will now adjust all of this with a real refinement...

Maud plot window after a first manual refinement

Note: you can also run through this procedure by adjusting parameters in the bottom panel of MAUD and see the global spectrum being adjusted. This can be a bit tricky if your sample is stressed, for instance.