BUCHI NIRCal - Manual (Page 151)

Chemometrics
NIRCal 5.5 Manual, Version A 151
Information of the C-Set and V-Set spectra:
Row
Name Description
145-
166 Validation for C-Set
Spectra
List of C-Set spectra with predicted and original property, radii,
residual. Number of possible outliers should be 0.
.The last column shows the GUID of each spectra.
167
Total No.of Spectra
with X
It should be all type zero.
171-
181 Validation for V-Set
Spectra
List of V-Set spectra with predicted and original property, radii
(0), residual. Number of possible outliers should be 0 except
Scores outliers**.
The last column shows the GUID of each spectra.
182
Total No.of Spectra
with X It is mostly all type zero, scores outliers should be carefully
controlled.
** Explanation of possible score outliers:
These spectra are identified correctly, but they are possible outliers according to the score. As score
tolerance the min. and max. score of the C-Set spectra are taken. These extreme values are
multiplied by the "Score Blow Up", which is equal to 1.05 by default. But the tolerance rings give a
higher limit.