SettingUpMaud

< Intensity calibration | Radial Diffraction | Unit cell and backgrounds >

Preparing actual data refinement

Setting up Maud

For an actual refinement, we will not refine all instruments parameters as we did for the standard. Therefore parameters such as

detector distance
wavelength
detector tilt
peak profiles

will always be fixed. On the other hand, we will refine

the incident intensity
backgrounds
beam center position

as those may be different than from the standard.

To start a refinement, simply start from the par file you created with you standard (or a previous refinement), and change its name (save as...).

Loading the data

Load a new dataset

Select your dataset, edit it,
Select the datafiles tab,
Click on the button remove all
Insert the new datasets: browse

Restrict the interval

look at your data and choose what interval you may be interested in
in the General tab, enter 2 theta min and 2 theta max and hit enter

Check the data Check all datasets (plot several at the same time) and check

that the range you chose is ok for all
that no spectra show weak intensities (beam stop) or spots. If they do, simply remove them.

Setting up a material


Removing a phase	Add a new phase from the database

If you sample is different from the file you started with,

in the main window, select the phases tab,
remove the old phase,
add a new one for each phase in your sample

At this point, you should calculate the spectrum (hit the calculator icon) and see what you get. Make sure that the number of peaks is ok. If not, you probably go the list phase wrong.

< Intensity calibration | Radial Diffraction | Unit cell and backgrounds >