BUCHI NIRCal - Manual (Page 176)

NIRCal 5.5 Software Manual
176 NIRCal 5.5 Manual, Version A
3.18.24 C-Set BIAS
Description Bias provides information on the average deviation of the predicted values
from the true values.
BIAS of the calibration set spectra.
Use To compare with the V-Set Bias.
Method PCR / PLS
Matrices ID 17
Tip The C-Set Bias is zero by definition.
Details Available in the calibration protocol.
Formula
Related Topic V-Set BIAS
3.18.25 C-Set Mean Property
Description Average property value of the C-Set spectra. Internally used for
meancentering.
Use Compare with the predicted mean property value.
Method MLR / PCR / PLS
Matrices ID 35
Tip
Details It is available in the calibration protocol (C-Set Orig.mean).
Related Topic Pretreated Property
3.18.26 C-Set Mean Spectrum
Description Mean spectra of the calibration set.
Use Internally used for meancentering.
Method all
Matrices ID 34
Tip
Details Pretreatments take effect.
Formula
Related Topic Pretreated Spectra
It is calculated by averaging the intensity values at each wavelength.
The centre of the new coordinate system is shifted to that point: mean centering.
3.18.27 C-Set PRESS
Description Calibration Set: Predicted Residual Error Sum Square.
Use To estimate the number of PCs. Compare it with the V-Set PRESS
Method PCR / PLS
Matrices ID 13
Tip Graphics / C-Set Statistics / PRESS
Details Shows the calibration set PRESS in function of the number of PCs.
Formula
Related Topic V-Set PRESS
This function calculates the error sum square as a function of the number of PCs. The term
„residual“
here refers to the difference between the predicted values and from the original reference values.