Important Update News

The RRUFF Project is being updated to improve its interface and content. The beta version of the update is accessible to the public at RRUFF.net. New data is only being added to the beta site. Please note that it is in development, and some components are not functional. Existing RRUFF.info links will resolve to the new site after RRUFF.net is officially released.

We are grateful to NASA for the funding of this effort.

CrystalSleuth: Modes
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File Manager Selecting this mode will bring up a dialog box that allows one to select which of the open files is the primary file, as well as which are visible/invisible. Also mange the vertical scale and select the preferred viewing mode. The user can choose to view files as overlapping, or as occupying different tiers in the main window.

Edit From this dialog box the user is able to manually remove cosmic ray events [CRE], with control over the slope and noise of the corrected values. First zoom into an area by drawing a box around the data of interest. Then double-click to the left, and to the right of the artifact. The red pattern represents the corrected data values. Adjust the settings as desired, then click accept.

X-ray mode Diffraction patterns are managed in this mode. In this dialog box the user may select to auto-find and fit peaks. Integrated with the American Mineralogist Crystal Structure Database, this mode facilitates an online search for matching diffraction patterns, and imports a data file to your project to assist with refinement.

Raman mode Matching Raman patterns against those stored in the RRUFF database is done with the aide of this dialog box. To reduce download time, the user must compile the search/match library. This need be done only once before the first search.
Theory: The pattern is treated as a multi-dimensional vector (of norm 10) where an extrapolated intensity (y-axis) at every two wave numbers (x-axis) is treated as a magnitude in a single dimension. We intentionally view the pattern and each of the spectra within our search-library as definable within the same vector-space. A dot product reveals the spectra that are most similar. Because of the normalization, a perfect match returns a value of 100. This process is repeated for the top matches; but now, for greater resolution, the intensities are extrapolated at every integral wave number. An ordered list of matching results with a confidence value (0 to 100) is listed left of each result. The confidence is the calculated result of the dot products discussed above, which indicates the coincidence between each pattern in the search/match library and the spectrum of interest. Please remember that this is only the best match found, and even with a high confidence, this does not necessary imply a match.

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