Search UV spectra automatically

This procedure explains how to configure a processing method to automatically search UV spectra in a library. You can use the method in the following ways:

• In Acquisition:

  Provide the processing method for single samples or sequences. Your data will be processed and UV spectra will be searched already during the acquisition, without opening Data Analysis ( Processing at the end of Acquisition).

• In Data Analysis:

  UV spectra will be searched when you use that method to process or reprocess data.

This procedure explains how to configure a processing method to automatically search UV spectra in a library.

Preparations

• You need the privilege Processing Method > Edit UV library search parameters . Privileges are configured in the Control Panel.

• You use a 3D UV Quantitative, MS, or LC/MS Sample Purity method.

• If the project enforces method approval, the method status must be Generic. For details, see Method approval.

1. In the Processing Method window, select the Spectral Analysis > UV Library Search node.

2. Select the check box Automatically perform UV library search on integrated peaks.

3. Select to search spectra only for identified peaks, only for not identified peaks, or for all peaks.

4. Define for which signals (for example, All signals or DAD1A) peaks and their spectra shall be included. Expand the drop-down list to select or clear a single signal or multiple signals.

5. Define the minimum area in % for a peak to be included in the search.

6. Provide the search library parameters. They are identical to the ones used for a manual library search:

   Library	The relevant library.
   Minimum match score	Match score that is required to list a similar spectrum from the library as a match. Range from 0 - 1000 (1000 means that spectra must be identical).
   WL range from, WL range to	Wavelength range used for the search. The unused wavelength range is shown with a grey background in the result spectrum.
   Maximum # of hits to return	By default, up to ten results are shown.
   Spectrum RT for prefilter +/-	Option to limit the search results to spectra with a similar retention time.

7. Consider adding an injection report to document the results. See Create injection reports automatically.

8. Save the processing method.

9. Use the saved processing method in either Acquisition or Data Analysis to process your data.

NOTE

If you use the processing method in Acquisition:

Make sure that the OpenLab CDS user who starts the acquisition has at least Viewer access to the relevant library. Access control is configured in the Library Manager web interface.