BUCHI NIRCal - Manual (Page 249)

Chemometrics
NIRCal 5.5 Manual, Version A 249
Edit
Select a module from the module list to be opened with the Module Editor .
Remove
Select a module that shall be removed from the module list.
Modules List
Default list of modules. The list can be adapted by Organize Menu.
Chemical Bonding
Translates the wavelengths to chemical bondings . See mouse cursor position in the status bar.
Settings Advanced
Opens the dialog to change advanced NIRCal settings.
If there are spectra with different Y-units (BCAP and NIRCal spectra in the same project), the
warning should be activated (remove check).
The spectra plot can be switched off in the Overview plot (calculation is quicker for huge data set).
Setting JCAMP-DX Export
Spectra Converter
Converts spectra to the format of the NIRFlex N-500, e.g. spectra of NIRFlex-400 or NIRLab N-200.
See detailed information under
Convert and Import spectra from other instruments to a database .
Spectra Duplicate Search
Spectra removal steps:
1. delete identicals: spectra pairs with a Mahalanobis distance of zero in secondary PCs space.
2. delete most different: from the spectra pair that has the highest distance, that spectrum with
the higher leverage will be removed. Used for outlier removal.