Chromatographic peak resolution using Microsoft Excel Solver. The merit of time shifting input arrays.
Resolution of overlapped chromatographic peaks is generally accomplished by modeling the peaks as Gaussian or modified Gaussian functions. It is possible, even preferable, to use actual single analyte input responses for this purpose and a nonlinear least squares minimization routine such as that provided by Microsoft Excel Solver can then provide the resolution. In practice, the quality of the results obtained varies greatly due to small shifts in retention time. I show here that such deconvolution can be considerably improved if one or more of the response arrays are iteratively shifted in time.
Dasgupta
Purnendu K
PK
Department of Chemistry and Biochemistry, The University of Texas at Arlington, 700 Planetarium Place, Arlington, TX 76019-0065, USA. Dasgupta@uta.edu
D000465:Algorithms; D002852:Chromatography, Ion Exchange / Q000379:methods*; D003627:Data Interpretation, Statistical; D009596:Nitrophenols / Q000302:isolation & purification; D016011:Normal Distribution; D012984:Software
D009596:Nitrophenols; C045573:2-nitrophenol; C049017:3-nitrophenol