ChapterĀ 13
Fitting Peak Intensities

The fitting of powder diffraction peak intensities is the process that provides crystallographic structure information, so this is indeed the goal for many studies, while fitting of background, peak positions and widths are a necessary task, but do not in themselves provide results of interest.

13.1 Parameters that Affect Computed Intensities
13.1.1 Scale factors
13.1.2 Peak profiles
13.1.3 Atom positions
13.1.4 Atomic displacement parameters
13.1.5 Site Occupancies
13.1.6 Texture
13.1.7 Absorption corrections
13.2 The intensity fitting process
13.2.1 Preliminaries
13.3 How to know when the fit is good enough?