BUCHI NIRCal - Manual (Page 207)

Chemometrics
NIRCal 5.5 Manual, Version A 207
3.18.97 V-Set Std Pred Property
Description Standard deviation of the predicted property values of the validation set
spectra (standard deviation of the whole predicted validation range, Y-axis).
Use To compare with the V-Set Std Orig Property
Method PCR / PLS
Matrices ID 24
Tip Gives information about the size of the predicted validation range.
Details It is available in the calibration protocol (V-Set Pred.sdev).
Related Topic V-Set Std Orig Property
3.18.98 V-Set X-PRESS
Description Predicted Residual Sum Squares of the V-Set spectra.
Use See the effect of the number of PCs for reconstructing the V-Set spectra.
Method PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID 74
Tip Help for selection of the number of primary PCs.
Details The smallest number of PC, that is still showing changes, should be
selected. Compare it with C-Set PRESS.
Related Topic X-PRESS , C-Set X-PRESS
3.18.99 Wavenumber
Description Contains the wavenumber index.
Use For 1D-scatter plots.
Method PCR / PLS / Cluster (CLU) / SIMCA / MLR
Matrices ID 82
Tip
Details Wavenumber is a column vector.
Related Topic
Description
Contains the wavenumber index.
Use For 1D-scatter plots.
Method PCR / PLS / Cluster (CLU) / SIMCA / MLR
Matrices ID 83
Tip
Details Wavenumber is a row vector.
Related Topic
3.18.100 X-PRESS
Description Predicted Residual Sum Squared of all Spectra over all PCs.
Use See the effect of the numbers of PCs for reconstructing the spectra.
Method PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID 12
Tip Help for selection of the number of primary PCs.
Details The smallest number of PC, that is still showing changes, should be
selected.
Related Topic Spectra Residuals , Spectra Residuum , Loadings
The X-PRESS function shows from which PC on an additional PC does not improve the spectra
reconstruction.
The X-PRESS function sums up the intensity values that are left after reconstruction with each PC.