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Search spectrum dialog

A new search query for searching spectra on registered libraries in the software can be created or an existing search query can be edited here. Some parameters must be adjusted in order to receive optimal search results for the particular search request.

The parameter dialog looks like the following:

Search spectrum dialog contents

Searched object

A preview of the spectrum to be searched is shown in a little 2D view. Selected regions of the spectrum will be considered for searching. They are highlighted by a light-green background.

Search algorithms and parameters

The following search parameters can be adjusted:

  • Normalize each search range
    This flag enables (the value must be set to true) or disables (the value must be set to false) normalization for defined spectral regions.

The intensities of the query spectrum and the library spectrum will be normalized between 0 and 1 before both spectra are compared. Normalization will be applied to the intensities of the spectral region only, and each spectral region will be normalized independently.

  • Comparing algorithm
    Algorithms for comparison of spectral data are widely described in the literature and are still under heavy discussion. It strongly depends on the data type and the pre processing of data, which comparing algorithm is useful and yields the best results.
    Some of the most feasible comparing algorithms are included into the software.

For details about comparing algorithms, please refer to the Search Algorithm section.  

  • Search ranges
    Spectrum comparison can be reduced to some exclusive spectral regions. Click on the New Range button to add a spectral region for searching. Obsolete regions can be deleted by clicking the Delete Range button.

This feature is useful, if the user is only interested in one or more particular regions of a spectrum containing meaningful information.

Speed up searching!

Selection of regions will reduce the number of compared data points drastically. This will increase the search speed.

 

  • Minimum quality
    The result of a spectrum comparison is a matching quality value between 0 and 100. 0 means, there is no correlation between query spectrum and library spectrum and 100 means perfect a match. Finally a search result table is returned containing all library spectra with a quality better than the minimum quality value.

The quality value can be adjusted by the user to reduce the number of search results in the table to meaningful library spectra of an expected quality.

Destination library

A list of all registered libraries in the software is displayed here. The user must select those libraries, that will be applied for spectrum comparison.

Tip:  If you do not exactly know, if a library contains relevant spectra, select all libraries first and then refine your search query in a second run.

Search result configuration

Besides the matching quality value, the search result table might contain additional information about resulting library spectra. Additional information is carried in object properties or object labels, that have been previously uploaded together with library spectra.

The user can configure the labels and properties here, being displayed in columns of the search result table. These additional information will be retrieved together with the search results and can be reviewed by the user.