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Multi-elements Chemical Analysis of IR Spectrum of the Sun and the Earth Atmosphere from Space

This example demonstrates how to use the software and the interactive displays to characterize an unknown and a multi-element mixed sample.

The input data consists of unidentified high resolution Fourier transform IR spectrum of the sun and the earth atmosphere measured by a remote sensor from space. In this example, the data format is wavelength vs. peak intensities (without width) and the resolution is 0.1 cm-1.

There is no need to measure the input data using the Peak Identification module. The user can start the frequency analysis using the SCI module. It is desirable to manually enter a tolerance since the data have no width. The complete data file on energy levels has to be downloaded because the input data is unknown and mixed. After all, the ability to identify a spectral line depends on how complete the database is. There is no need to set up the Adjust for Air option since the input data is in units of cm-1. It is also recommended to filter out only energy level pairs with bad atomic numbers and charges so that all the other possible transitions will be included.

The user can start the frequency analysis by following the instructions for the SCI. A spectral line from an input file may find matches in multiple reference files because of spectral interference. A spectral line may have multiple listings in several elements. It is desirable to filter out all the matches with more than one elemental identification. The user can do this by typing the atomic number of the element in the Sole Element option in the report. The result will then contain the identified spectral lines with matches only to this element.

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Copyright 2005