BUCHI NIRCal - Manual (Page 149)

Chemometrics
NIRCal 5.5 Manual, Version A 149
Row
Name Description
84 Property Overview Number of clusters and selected spectra
85 Total Sum Num Cluster = Total number of clusters, should be equal to the
number of calibration properties
86 1st Property Num Cluster = should be 1, the spreading of C-and V-Set
spectra about 2/3-1/3
87 2nd Property Num Cluster = should be 1, the spreading of C-and V-Set
spectra about 2/3-1/3
88 3rd Property Num Cluster = should be 1, the spreading of C-and V-Set
spectra about 2/3-1/3
90 Property Separation Information about the influence of the properties on the
separation *
* Description of the property separation:
Q- = Imax, Emax and Dmin indicate bad influence on the substance separation
Q+ = Imin, Emin and Dmax indicate good influence on the substance separation
Nearest Prop = Name of the property with the smallest distance
Judging criteria:
Distance = Mahalanobis distance to the closest property (spectrum to spectrum of the other
cluster; see Property Adjacency)
Extension = The max. Mahalanobis distance of each cluster in the factor space (secondary
principal components)
Interference = Extension divided by distance
Imin / Imax = Extreme values regarding the parameter Interference
Emin / Emax = Extreme values regarding the parameter Extension
Dmin / Dmax = Extreme values regarding the parameter Distance
96 Property Outlier Number of outlier spectra outside a cluster, in false cluster,
residual too big in C- and V-Set
97 Total Sum All should be 0
98 1st Property All should be 0
99 2nd Property All should be 0
100 3rd Property All should be 0
102 Property Outlier U-Set Number of outlier spectra outside a cluster, in false cluster,
residual too big in U-Set
103 Total Sum Normally the U-Set is empty, the sum is also zero