WOLFRAM|DEMONSTRATIONS PROJECT

Analysis of Chromatographic Data

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seed
81
raw data
noise-free chromatogram
noisy chromatogram
Consider a mixture containing five chemical species. Such a mixture is analyzed by either liquid or gas chromatography.
The raw data tab displays the result of such analysis. You can vary this chromatogram by varying "seed." Both noise-free and noisy chromatograms are studied.
This Demonstration finds the positions of the peaks' maxima, which gives the retention times of the five chemical compounds. In addition, the deconvoluted chromatogram tab gives the individual peaks. The deconvolution allows the determination of the area and standard deviation of each peak.
Finally, based on the assumption that the response of the detector is linear for all species, calibration lines are used to determine the mixture's composition using the computed peak areas.