BUCHI NIRCal - Manual (Page 86)

NIRCal 5.5 Software Manual
86 NIRCal 5.5 Manual, Version A
3.4 Calibration Wizard
3.4.1 Calibration Wizard
Menu: Wizard / Calibration Wizard
Icon:
The quality (robustness, sensitivity, selectivity, portability...) of a calibration for quantification and/or
identification mainly depends on the data selections: choice of calibration and validation spectra,
wavelength range, data pretreatments and PCs used.
The chemometric software NIRCal offers the calibration wizard for an easy and fast generation of
calibrations without a profound understanding of chemometrics. The automatic Calibration Wizard
guides the user. While the user only has to answer a few questions about the used samples, the
installed sampling options or the expected quality of the calibration, the automatic calibration uses its
knowledge base for selecting spectra, wavelength ranges or the number of PCs. The pretreatment
selector for permutation and calculating several pretreatment combinations is an integral part of the
calibration wizard. After all calibration is calculated the summary is documented and the five best
calibrations are stored, all other deleted automatically. The calibration wizard can be started without
any data selection before, but a precalculation can be useful: the wizard never selects properties! To
do the data selection press the Data Sets button.
The Calibration Wizard with the Advanced option:
1. Select type of substance.
2. Select type of calibration.
Important for PCR/PLS or CLU
method selection!
3. Select behavior of calibration.
4. Select used measuring option.
5. Start the wizard with OK.