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Raman Data Search and Storage (RDSS) - Description

PostPosted: Wed Mar 13, 2013 4:19 pm
by Andrei Ionut Apopei
Raman spectroscopy is widely used in the field of geosciences because it is very fast, non-destructive, noninvasive and does not require sample preparation. The Raman spectra often provide unique fingerprint of the sample that can be used to identify any unknown minerals. Raman Data Search and Storage (RDSS) software was developed as an analytical tool for a fast and accurate identification of unknown minerals by comparison of their spectra with the indexed library of data. RDSS is a freeware, user-friendly software, written in Java, not OS dependent, available for use by anyone who has an Internet connection and can be accessed at the following link: A search function was implemented to enable users to find a specific peak value. Using the asterisk character (*) as a placeholder for one or more unknown peak value(s), the software will return the best match(es). Besides the search utility by the Raman band positions, which was proven to be priceless in the interpretation of Raman spectra, the RDSS software gives the user the ability to display and inspect the Raman spectra quickly and very efficiently. Users can zoom into the Raman spectrum, shift in any direction the wavenumber and the intensity axes, and if any part of the spectral display is clicked, that region will be highlighted and the specific wavenumber returned. A photo for every sample entry stored in the database is also available. For the raw Raman spectra, the RDSS software can open any .txt file format with XY data format, delimited by different delimiters : tab, space, comma, semicolon, and it can also ignore rows with ##comments.
The RDSS software allows users to easily find the Raman peaks of a raw spectrum obtained from a single crystal or from a mixture where multiple peaks are expected to arise. The only disadvantage encountered in most applications which use a spectral matching system is usually the insufficient number of spectra in the database. However, even with a limited number of records in the database, the user can obtain a first impression of the mineral class of the unknown compound.

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