C-set spectra residuum min, C-set spectra residuum minmax, C-set std orig property – BUCHI NIRCal User Manual
Page 180: C-set std pred property, C-set x-press, 35 c-set spectra residuum min, 36 c-set spectra residuum minmax, 37 c-set std orig property, 38 c-set std pred property, 39 c-set x-press
NIRCal 5.5 Software Manual
180
NIRCal 5.5 Manual, Version A
3.18.35
C-Set Spectra Residuum Min
Description
Shows the minimun residuum of the C-Set spectra using different number of
PCs in the selected wavelength range.
Use
Find the optimum number of primary PCs.
Method
PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID
76
Tip
Small residuum indicates a good reconstruction, but avoid overfitting.
Details
The residuum with e.g. PCs 3 shows the residuum spectra using 1-3 PCs for
the reconstruction.
Related Topic
Spectra Residuum
,
Primary PCs
3.18.36
C-Set Spectra Residuum MinMax
Description
Shows the maximal residual of the C-Set spectra in dependency of the
number of PCs.
Use
To find the optimum number of primary PCs.
Method
PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID
93
Tip
Small residuals indicate a good reconstruction, but avoid overfitting.
Details
Related Topic
Spectra Residuum
,
Primary PCs
3.18.37
C-Set Std Orig Property
Description
Standard deviation of the original property values of the calibration set
spectra (standard deviation of the whole calibration range, X-axis).
Use
To compare with the C-Set Std Pred Property
Method
PCR / PLS
Matrices ID
14
Tip
Gives information about the size of the original calibration range.
Details
It is available in the calibration protocol: C-Set Orig.sdev.
Related Topic
C-Set Std Pred Property Original Property
3.18.38
C-Set Std Pred Property
Description
Standard deviation of the predicted property values of the calibration set
spectra (standard deviation of the whole predicted calibration range, Y-axis).
Use
To compare with the C-Set Std orig Property
Method
PCR / PLS
Matrices ID
15
Tip
Gives information about the size of the predicted calibration range.
Details
It is available in the calibration protocol: C-Set Pred.sdev.
Related Topic
C-Set Std Orig Property Predicted Property
3.18.39
C-Set X-PRESS
Description
Predicted Residual Sum Squares of the C-Set spectra.
Use
See the effect of the number of PCs for reconstructing the C-Set spectra.
Method
PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID
73
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 V-Set PRESS.
Related Topic
X-PRESS
,
V-Set X-PRESS