BUCHI NIRCal - Manual (Page 172)

NIRCal 5.5 Software Manual
172 NIRCal 5.5 Manual, Version A
3.18.10 CV C-Set PRESS
Description CV C-Set PRESS is the Predicted Residual Error Sum Square for the
samples in case they are in the C-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 68
Tip Optimal number of PC, where CV C-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
3.18.11 CV Group Index
Description Before CV the spectra can be grouped: the number indicates, to which group
a spectrum belongs.
Use To find out, which spectra have e.g. same or similar property values with
Property equal or Property segment selection. Using CV each spectra
belonging to the same group will be at the same calculation step in V-Set.
Method PCR / PLS
Matrices ID 65
Tip Can be used for dependency plot or for combined scatter plot.
Details The group number and the spectra belonging to the groups are listed in the
CV calibration protocol.
Zero as group index means: the spectrum belongs to no any group (unused
spectrum: U-Set).
Related Topic Cross Validation Grouping ; Custom assign Group to Spectra
3.18.12 CV Leverages
Description Mean of the spectra Leverages during Cross Validation of the V-Set spectra
group.
Use To compare with the “Leverages” of the final calibration with all C-Set spectra
to find possible outliers.
Method PCR / PLS
Matrices ID 70
Tip High leverages indicate outliers.
Details For the calculation the primary PCs are taken.
Related Topic Leverages
3.18.13 CV Predicted Property
Description CV Predicted Property is the predicted property value for the sample in case
it is left out of the calibration.
Use Compare it with the predicted value of the final calibration and with the
original property value.
Method PCR / PLS
Matrices ID 66
Tip It should be close to the original property value and to the predicted value of
the final calibration.
Details The CV predicted property is calculated according the selected secondary
PCs.
Related Topic Predicted Property , CV Property Residuum