BUCHI NIRCal - Manual (Page 87)

Chemometrics
NIRCal 5.5 Manual, Version A 87
Advanced Settings:
remove detected
Outlier from C-
Set and V-Set
Based upon outlier detection module with c=2.5, removed spectra are listed in
the calibration protocol.
Not in all cases it is advantageous to use this option.
Fast mode
reduces data
points up to 1/5 Every 5. wavelength value will be used to reduce the calculation time.
Not suggested for the end calculation! Use "Turbo Mode" (M) in plots e.g.
Loading plot.
show calibration
rules after
initialisation The used pretreatment, wavelength and method selection is showed; "Use all
rules" with up to 2000 combinations are available (the time of calculation will
increase dramatically).
keep preselected
Pretreatments for
all calibrations The pretreatment or pretreatment sequence, used in the active calibration, is
kept and the pretreatments from the wizard are added afterwards.
exclude this
method For quantitative calibration the PLS or PCR method can be eliminated to
reduce the calculation time.
exclude Kubelka
Munk Kubelka Munk will not be used if this option is checked.
stop after 10
calibrations Calculating 10 calibrations reduce the time for the calculation (mainly for
demo purposes).
built calibration
name with
property names Adequate for single property calibrations; to be switched off for a larger
number of properties.
The wavelength selection can be influenced in one of these ways:
additional setting
The wavelength selection used in the active calibration, will be used additional
to the predefined selection.
or
boundary for
internal settings
The wavelength selection is never bigger, as the selection in the active
calibration. The boundary selection can also include gaps.
For the pretreatments of derivatives and smoothings there are 3 possibilities:
- Gap0: all data points are in the calculation;
- Gap2: each 3rd data point is in the calculations;
- Segment3: there is an additional 3 point smoothing (as3) for the Gap2 pretreatment.
With these selections predefined wavelength and pretreatment combinations and the calculation
algorithm will be activated.
The wizard can be stopped with the keeping the Esc button pressed.