Metrohm Vision – Tutorial - Manual (Page 17)

 4 Qualitative Model Development
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 NIRS Vision Tutorial – Operation
Open Project “xdsstart”
1. Click on the + sign next to the green cuvette icon.
Add Product to the Library
1. Drag the product “AcDiSol” from the products folder into the library
folder.
2. In the Library Product dialog box confirm the product ID and click on
[OK].
The product “AcDiSol” now appears under the library name next to a gray
(empty) cuvette. This indicates that “AcDiSol” has been chosen for sample
selection but has not yet completed the selection process.
Start Sample Selection
1. Click on “AcDiSol”
2. Click on Select  Apply Math
3. In the Edit Sample Selection Parameters dialog box, enter the
following information:
 Selected Method “Mahalanobis Distance in Principal Component
Space”
 Math Treatment “2nd derivative”
 Click on [OK]
4. In the Edit Math Properties dialog box in the Principal Components
ID Parameters tab set the following wavelength regions:
 Region 1
Minimum: 416
Maximum: 1080
 Region 2
Minimum: 1120
Maximum: 2484
 Cum Var. 95 %
 Click on [OK]
5. In the Sample Selection Options dialog box, set the following:
 Find Outliers enabled
 Outlier Threshold 0.95
 Threshold Type Probability Level
 Find Redundant enabled
 By number of samples enabled
 Training Set 75 %
 Acceptance Set 25 %
 Click on [OK]