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Accessing Spectra from Spectra Projector

It is an important part of classification analysis to know which spectrum is represented by a point on a projection plane. As Mass Frontier links corresponding modules, spectra with structures or chromatographic components can be recalled from any projection plane.

To access a single spectrum, scan, or deconvoluted component:

  • Double-click a point on the projection. The linked module will be displayed on top of all other windows, the corresponding record or component will be selected, and the spectrum will be shown

To access several spectra in a region:

  • Select a region with the mouse cursor while holding down the RIGHT mouse button

  • Or, click the Select Spectra And Show Their Origin button Image and then select a region with the mouse cursor while holding down the LEFT mouse button

If the selected spectra originate from Database  Manager, you will be prompted as to whether the records with spectra and structures should be copied to the last active Database Manager window, or to a new one. If your spectra originate from a chromatogram (Chromatogram Processor) the corresponding scans or components will appear in the same color as they appear in the PCA or Fuzzy Clustering plot.

Note:
Spectra Projector is only able to recall records that are present in a Database Manager window. If you close the Database Manager window that is the source of the input data for classification, the link between a point and its spectrum will be interrupted. The program automatically warns you if you try to close a Database Manager window that is linked with one or more Spectra Projector window(s). In addition, to keep the links between points and spectra intact, you must not move records in, or between, Database Manager windows using cut & paste commands.

If the data originated from Chromatogram Processor, the window must still be open.