CREATION OF A WEB SOFTWARE FOR CRYSTALLOGRAPHIC PEAK INDEXING ASSOCIATED TO X-RAY DIFFRACTOGRAMS USING THE SEARCH-MATCH ALGORITHM
DOI:
https://doi.org/10.18066/revistaunivap.v30i65.4518Keywords:
diffraction, web application, online indexing, COD, C#Abstract
Diffractometer is a device that measures the intensity of the diffraction of X-ray beams applied to a sample at an angle of 2θ and records it in files that allow the generation of a linear graph, called diffractogram. Much information can be obtained by analyzing this graph together with the crystal lattice parameters of the studied sample. These data are obtained by submitting the results to the comparison with other diffraction patterns, and this is currently done using a software that performs the processing, analysis and refinement of the diffractograms. Nonetheless, most of them do not support the Portuguese Language, they are costly and, especially, depend on installation particularities, making the research expensive or unfeasible. This work proposes a national alternative, creating a web software that performs the indexing of a diffractogram using the search-match algorithm for the comparison with an open crystallographic database. The software successfully indexed already known diffractograms, comparing the results obtained with those derived from other methods and proprietary software, such as OriginLab and TOPAS, in addition to the software used as a basis for the development. It is concluded that the offer of this system will be relevant for the academic community, especially for the institution that will make it available
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