BUCHI NIRCal - Manual (Page 192)

NIRCal 5.5 Software Manual
192 NIRCal 5.5 Manual, Version A
3.18.64 Property Score Disorder
Description Property Score Disorder: number of different property spectra according the
scores of different PC.
Use Useful for secondary PCs selection in higher dimensional space (> 3).
Method Cluster (CLU)
Matrices ID 57
Tip The smallest number of property score disorder = (number of selected
property -1). This value indicates a clear separation of the different
properties.
Details Small disorder values indicate a clear separation (how many times the color
is changing with the score of a PC). Property Score Disorder is calculated
only for the C-Set spectra.
Related Topic Scores , Secondary PCs , Property Score Diffusion
Disorder = Sum (Property Score Diffusion) * (number of C-Set spectra) / (number of property)
3.18.65 Property Score Extension
Description Property Score Extension: the maximal distance between two C-Set spectra
of the same property.
Use Useful for secondary PCs selection in higher dimensional space (> 3).
Method Cluster (CLU) / SIMCA
Matrices ID 59
Tip Small values indicates good reproducibility and repeatability. PCs with small
extension are prefered for secondary PC selection.
Details Property Score Extension is calculated only for the C-Set spectra. The
extension values are listed in the calibration protocol.
Related Topic Scores , Property Score Disorder , Property Score Diffusion
3.18.66 Property Wavelength Regression
Description Contains all regression coefficients between each wavelength of all the
calibration set spectra and the property value.
Use In a 2D-plot very useful to optimize the wavelength selection for all
properties. Especially useful for quantitative methods.
Method all but not SIMCA
Matrices ID 44
Tip Absolute values near 1.0 shows strong wavelength dependencies with the
corresponding property.
Details Dependencies:

pretreatments

C-Set spectra

Calibration property
Related Topic Property Spectra
3.18.67 Quant Calib. Statistics
Description Contains all statistics of the quantitative calibration protocol.
Use Use it as a fast or short protocol.
Method MLR / PCR / PLS
Matrices ID 42
Tip Open this matrix as Table (Grid).
Details Summary of the relevant statistics matrices.
Related Topic