BUCHI NIRCal - Manual (Page 74)

NIRCal 5.5 Software Manual
74 NIRCal 5.5 Manual, Version A
Selection methods:
Monte Carlo Random: this selection is suggested, when only one spectrum for each substance was
measured, which is not recommended (measurement mistake is not clear). For 3 spectra / samples
this method is not suggested, while the 3 spectra can be randomly in C- or V-Set.
Sequence: e.g. 70 % of the spectra are selected automatically into the C-Set. 3 spectra / sample can
be separated!
Blockwise: to distribute 2/3 of all measured spectra into the C-Set, 6 spectra are selected to the C-Set
and 3 left out for the V-Set of the range from 1 to 80. This is the most common selection method.
Custom: spectra selected by spectrum number in the project. To separate two spectra blocks, a
comma and space are used.
NOTE
When each sample has been measured three times, all three spectra should be designated to either
the calibration or validation set.
Therefor it is ideal to use Blockwise selection e.g. if each sample was measured with 3 spectra block
select 6 and leave 3 can be used. Blockwise selection is only recommended for qualitative
calibrations.
Choose Blockwise with Block select 6 and leave 3, press OK for applying this selection for the C-Set.
For the " Validation Spectra" the Blockwise method is selected, press first Apply, than Invert and
press OK to get the rest.
Spectra Selection in the Property Table
Open the table Original Property in Menubar: Tables / Properties / Original: