BUCHI NIRCal - Manual (Page 175)

Chemometrics
NIRCal 5.5 Manual, Version A 175
3.18.20 CV SECV
Description CV SECV: Standard Error Cross Validated
Use The CV selects the number of secondary PCs, where CV SECV has a
minimum.
Method PCR / PLS
Matrices ID 72
Tip The secondary PCs selection is indicated with red color.
Details The first local minimum of CV SECV is taken.
Formula
Related Topic SEE
3.18.21 CV Spectra Residuals
Description The spectra residual of the spectra in the V-Set during CV.
Use Compare the CV spectra residual with the residual of final calibration to find
out possible outliers.
Method PCR / PLS
Matrices ID 71
Tip Big CV spectra residual indicates outlier.
Details The number of primary PCs are used for the calculation.
Related Topic Residuals , Primary PCs
3.18.22 CV V-Set PRESS
Description CV V-Set PRESS is the Predicted Residual Error Sum Square for the
samples in case they are in the V-Set of the calibration.
Use To estimate the number of PCs. Compare it with C-Set PRESS of the final
calibration.
Method PCR / PLS
Matrices ID 69
Tip Optimal number of PC, where CV V-Set PRESS has the minimum value.
Details Shows the CV C-Set PRESS in function of the number of PCs.
Related Topic C-Set PRESS , CV C-Set PRESS
3.18.23 C-Set BCAP-PRES
Description PRES function of the calibration Set comparable with the DOS based BCAP
Software.
Use To estimate the number of factors
Method PCR / PLS
Matrices ID 21
Tip
Details Shows the C-Set PRES (Predicted Error Sum) in function of the number of
PCs.
Related Topic V-Set BCAP Pres