BUCHI NIRCal - Manual (Page 145)

Chemometrics
NIRCal 5.5 Manual, Version A 145
Extend the Calibration
In case during the external validation there are unacceptable differences -property value or
residual-, the calibration should be extended with the spectra of the external validation samples.
These spectra are stored in the DB. The necessary steps are:

editing the property values in the Manager Console / Sample Manager (see NIRWare
manual);

import the spectra into the original NIR-project;

extend the calibration.
NOTE
Spectra import is suggested to make in the activated first calibration. Approved calibrations, which
were already used in the application, can not be edited and modified anymore.
For creating an extended calibration, the new imported spectra should be selected as C-Set
spectra, in this way the missing information is fully integrated in the new model. A copy of the
optimized master calibration should be created with: Lifecycle / Copy. This copy should be stored in
the database Lifecycle / Next and used for the application.
3.16.3 Project Handling
A project with existing calibrations can be stored under an other name in the Database.
NOTE
These calibrations are in this case only linked, but not copied!
Changes in a calibration causes changes in the calibration of both "projects" (after deleting a
calibration in a project it will be lost in both projects).
In case with the same spectra e.g. for different quantitative properties, several calibrations have
to be created, the spectra should be loaded into new projects. In each project calibrations for just one
property are evaluated and optimized.
3.17 Protocols
3.17.1 Calibration Protocol Qualitative
Menu: Calibration / Calibration Protocol Calculate or Show
Icon:
Short Key: F8
The calibration protocol is an important validation report giving all information about the data selection
and result of the chemometrics calculation. The calibration protocols are stored in the DB (or .nir
project file).
Explanation of the content of the calibration protocols:
Cluster Calibration
The first section has the information about the user specific data selection (row 1-64).