Groups of correlated representations of variables are identified from a
large amount of spectrometry data. A plurality of samples is analyzed and
a plurality of measured variables is obtained from a spectrometer. A
processor executes a number of steps. The plurality of measured variables
is divided into a plurality of measured variable subsets. Principal
component analysis followed by variable grouping (PCVG) is performed on
each measured variable subset, producing one or more group
representations for each measured variable subset and a plurality of
group representations for the plurality of measured variable subsets.
While the total number of the plurality of group representations is
greater than a maximum number, the plurality of group representations is
divided into a plurality of representative subsets and PCVG is performed
on each subset. PCVG is performed on the remaining the plurality of group
representations, producing a plurality of groups of correlated
representations of variables.