This chapter uses the
HKL package coordinate system
to describe data algorithms and analysis. Data analysis makes specific
assumptions which the collected data must, or at least should, satisfy. The
description of data analysis and algorithms given here makes frequent
references to the assumptions about the data and offers guidelines on how to
make the experiment fulfil these assumptions. Topics covered include:
diffraction from a perfect crystal lattice; autoindexing; coordinate
systems; experimental assumptions; prediction of the diffraction pattern;
detector diagnostics; multiplicative corrections (scaling); global
refinement or post refinement; and graphical command centres. This chapter
is also available as
HTML from the International Tables Online site hosted by the
IUCr.