BUCHI NIRCal - Manual (Page 50)

NIRCal 5.5 Software Manual
50 NIRCal 5.5 Manual, Version A
NOTE
Switching the "Mean centering after Pretreatment" OFF, the first principal component represent
almost the mean value spectrum. This is suggested for only one property in the calibration, which is
always the case for SIMCA. SIMCA can also be created without a transformation from a cluster
calibration.

the number of primary principal components is selected with the " Factor Selection Wizard ";

the number of secondary principal components is selected also with the " Factor Selection
Wizard " according the Q-Value.
3.1.4 Transform Cluster to SIMCA
An active Cluster Calibration can be transformed to SIMCA by changing the calibration method to
SIMCA. Before the wizard starts with the calculation the following pop-up window appears:
Yes
Transform the actual Cluster Calibration into multiple SIMCA Calibration using
default SIMCA Parameters. The existing Cluster Calibration will not be modified.
No Change only to SIMCA method without any calculation.
Cancel Cancel the transformation and keep the current method.
For each C-Set Property of the Cluster Calibration a separate SIMCA Calibration is created.
Hereby the SIMCA default parameters are used and calculated. An automatic estimation of primary
and secondary PCs is made.