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Open and Save Spectra References

Mass Frontier supports three file formats for spectra: JCAMP, MSP and Xcalibur® RAW format. The firs two formats are ACSII files. Structures can be opened and saved in MOL-format. Database Manager provides the possibility to save and open references to spectra that are contained in a library or external files. When saving references to a file, the spectra will not be physically stored, instead only information about the spectra location will be saved. For example, this allows you to save library search results as references to records in library. You may also wish to save groups of spectra as references, which thereafter are submitted for classification using the Spectra Classifier and Spectra Projector modules. The reference files are ASCII files with a *.ref extension.

Note: You cannot save a reference to a spectral scan that originates from an average of scans or from a background subtraction that was produced in Chromatogram Processor, since such spectrums are not physically stored in a file. In this case you must save the spectrum and not the reference to it.

To open reference to spectra:

    • Press the Open Image button in Database Manager and Open Spectra Reference popup menu item, or choose the File | Open | Spectra Reference menu item.

To save references to spectra:

  1. Select ALL records that you want to save.

  2. Click on the Save Image button in the Database Manager window and select Save Mass Spectra Reference from popup menu item, or choose the File | Save | Spectra Reference menu item.

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