BUCHI NIRCal - Manual (Page 201)

Chemometrics
NIRCal 5.5 Manual, Version A 201
principal components has been selected. These difference spectra should have only noisy signal, but
no unfitted peaks.
3.18.84 Spectrum Nearest Neighbor
Description Spectrum Nearest Neighbor is the smallest distance in the score plots
between two spectra.
Use Check, which spectra have big deviation. Similar small distances indicate
good repeatability and reproducibility.
Method PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID 63
Tip The Spectrum Nearest Neighbor vs. Spectra scatter plot can help to reduce
redundancy with deleting some spectra with very small distance or to find
outliers with selecting spectra with high distance.
Details The distance is calculated according the selected secondary PCs.
Related Topic Scores
Description Spectrum Nearest Neighbor is the smallest distance in the score plots
between two spectra (distance vs. PC).
Use Check, which spectra have big deviation. Similar small distances indicate
good repeatability and reproducibility.
Method PCR / PLS / Cluster (CLU) / SIMCA
Matrices ID 126
Tip
Details The distance is calculated according the selected secondary PCs.
Related Topic Scores