Raman Data Search and Storage (RDSS) software were 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. 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, a 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.
RDSS description & features:
- RDSS application is a freeware application, it is published under an End User License Agreement. User must agree this EULA before downloading;
- Donations are encouraged;
- RDSS is a freeware, user-friendly software, written in Java, not OS dependent, available for use by anyone who has an Internet connection;
- A search function was implemented to enable users to find a specific Raman 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);
- Provides a Raman database fully searchable;
- Tentative assignments of the Raman bands of most of the mineral entries are available;
- 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, *.rruff, *.csv, *.asc, *.dat file format with XY data format, delimited by different delimiters : tab, space, comma, semicolon, and it can also ignore rows with ##comments;
- RIA (Relative Intensity Assignment) is a tool for the assignment of the Raman bands in terms of intensity (e.g. very strong, strong, medium, weak and very weak). This tool is divided in two categories: (i) which works very well with baseline-removed Raman spectra, and (ii) is better for high fluorescence Raman spectra;
- An automatic peak finder is available;
- Users can see and play around with the 3D crystal structure of the selected mineral entry. Also, for the pro-jmol users, a console tab was implemented;
- 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.
Screenshots
Disadvantage?
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.
Important notice! This program is written in JAVA and requires Java Runtime Environment from http://java.com.
This area (software development) is new to me, reason for beginning to ‘explore’. For any proposal don’t hesitate to contact me on this e-mail adress: andrei.apopei@uaic.ro.