Peak Fraction Purity and Chromatographic Resolution: Gaussian Peaks Revisited
2022
Striegel, André M. | Striegel, Deborah A.
For incompletely resolved peak pairs, the purity of the chromatographic or fractographic fractions is oftentimes underestimated by the common user. This results in wasted time and effort while trying to achieve higher resolution than needed for the intended use. While a choice regarding acceptable fraction purity is ultimately up to the user and will be dictated by the purpose for which the separation is being conducted, knowledge of fraction purity as a function of chromatographic resolution Rₛ can help make an informed decision in this regard. To this effect, we revisit here the relationship between peak fraction purity and Rₛ for pairs of Gaussian peaks, equal pairs ranging in Rₛ from 0.42 to 1.68 and unequal pairs of various analyte ratios and Rₛ values. Employing sophisticated yet highly accessible commercial software, we calculate, to a greater precision than previously reported, the purity resultant from midpoint or valley cuts of peak pairs, and also show the improvement gained from performing these cuts at either the maxima of the cumulative peak or at the locations in this peak corresponding to the centers of gravity of the individual component peaks. The methodology employed and equations given are applicable to Rₛ values other than those investigated here and can be employed to calculate cut-point estimates for virtually any arbitrary desired purity.
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