IDEN2 - A program for visual identification of spectral lines and energy levels in optical spectra of atoms and simple molecules
Abstract The article describes a Java program that can be used in a user-friendly way to visually identify spectral lines observed in complex spectra with theoretically predicted transitions between atomic or molecular energy levels. The program arranges various information about spectral lines and energy levels in such a way that line identification and determination of positions of experimentally observed energy levels become much easier tasks that can be solved fast and efficiently. Program summary Program title: IDEN2 Program Files doi: http://dx.doi.org/10.17632/mwr2tk84sw.1 Licensing provisions: GPLv3 Programming language: Java v.1.8 Nature of problem: Line identification problem in atomic and molecular spectra that have a limited number of previously known low-excited energy levels and a large number of unidentified spectral lines (emission or absorption). The line identification consists of finding the lower and upper energy levels of transitions corresponding to each observed spectral line. Solution method: For each energy level (experimentally known or unknown), the list of observed spectral lines is displayed on a wavenumber scale as an image. This image is repeated with certain vertical shifts in several columns corresponding to other levels connected with the investigated one by theoretically predicted transitions. In each such column, the image of the line spectrum is shifted by the value corresponding to the energy of the connecting level. Then the problem of location of an unknown level is reduced to scrolling the screen until several spectral lines in different columns align along the same horizontal line. Various gadgets provide complete information about all pertinent entities, such as the level identities, wavelengths, observed and calculated intensities. Additional comments including restrictions and unusual features: A practical limitation on the size of the problem is imposed by the available RAM, which is typically sufficient to treat spectra with up to 100 000 spectral lines and 10 000 energy levels. The visual appearance of all gadgets, including font sizes, colors, and window sizes and positions, is completely customizable. An extensive Help system and User Guide are included.
Formal approach to the solution of the complex-spectra identification problem. I. theory
A formal approach to the solution of the complex-spectra identification problem is proposed. In the frame of this approach the set of energy levels and transitions to be searched for is represented in the space of upper and lower energy levels as a geometric figure. The approach is based on the analysis of properties of two graphs which are the figure projections on the spaces of upper and lower energy levels. The methods for finding the original figure (or its versions) are proposed.
Comparison of a Radiometric Procedure with Conventional Methods for Identification of Neisseria
A radiometric procedure was compared with the conventional cystine tryptic agar (CTA) sugar fermentation method for identification of Neisseria species. Four different ATCC cultures of Neisseria were identified by both procedures with identical results. The only difference noted was that the radiometric procedure required 3 h for completion, whereas the conventional CTA sugar method required overnight incubation. The radiometric procedure was also compared with the fluorescent antibody (FA) and CTA methods for identification of Neisseria gonorrhoeae. The organisms examined were gram-negative, oxidase-positive diplococci isolated from 49 clinical specimens sent to the laboratory for bacteriological analysis. Results obtained by both CTA and FA procedures were comparable. However, the radioisotope method appeared to be superior to the other two methods in that only one isolate identified as positive by both the CTA and FA methods was not identified radiometrically, whereas four isolates positive by the radiometric method were not identified by the other two procedures. Thus, a total of seven more positive identifications were made radiometrically than by either of the two other methods. All positive identifications were confirmed by a reference laboratory. These results indicate that the radiometric procedure is more rapid and reliable as compared with both the CTA and direct FA methods and, thus, may serve as a valuable addition to the methodology available for diagnostic microbiology.