BUCHI NIRCal - Manual (Page 161)

Chemometrics
NIRCal 5.5 Manual, Version A 161
Row Name Description
Statistics of the original property values (labor method, X-axis)
98 C-Set Orig. min. The smallest property value in the C-Set
99 C-Set Orig. max. The highest property value in the C-Set
100 C-Set Orig. mean. The mean property value of the C-Set
101 C-Set Orig. sdev The standard deviation of the property values in the C-Set
103-
106 C-Set Pred. Statistics of the predicted property values (NIR, Y-axis). These
values should be comparable to the similar values of the original
property values.
108 C-Set RSS C-Set residual sum of squares = RSS should be low:
Sum((Orig-Predicted property)^2) = Sum (e^2)
110 C-Set Durbin-Watson dw=Durbin-Watson = Sum of consecutive/succesive Residual
Difference Square / Sum of Residual Square LINK:
Durbin-
Watson Factor Statistics
111 C-Set Durbin-Watson in
range 1.5 to 2.5 Is the dw value between 1.5 and 2.5? Answer: Yes or No
113 C-Set Resid. min Biggest negative deviation in the C-Set property values
114 C-Set Resid. max Biggest positive deviation in the C-Set property values
117 C-Set n Number of C-Set spectra
Result of the final calibration
121-
190
Validation for C-Set
Spectra
Name, number of spectrum, original, predicted property and the
difference (Orig-Pred); an X for "extrapolation", in case the value
is outside the calibration range; residual value and an X for
"redidual too big", in case the value is outside the allowed range;
spectrum GUID