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- CurFit 1.1: A Separator of Overlapping Peaks
-
- by Dr. Weiguang Huang
- 5/6 Cara Road, Geelong, Vic. 3216, Australia
-
- CurFit is a software package of separator of overlapping
- peaks, which extracts signals of individual components from over-
- lapping peaks with background and noise by curve fitting. To fit a
- set of one or more theoretical peak shapes to a set of experimental
- data, users may select a single type or mixed types of the peak
- shapes. There are three available types of peak shape; they are
- (1) revrsible peak,
- (2) irreversible peak,
- (3) quasi-reversible peak.
- The reversible peak shape is symmetric, but the irreversible and
- quasi-reversible peak shapes are asymmetric. Peak shape (1) has two
- or three unknown parameters. If the value of the half-peak width is
- not exactly equal to the theoretical value of the half-peak width
- (which usaully ocuurs in practice), the half-peak width is taken
- as an unknown parameter in addition to the peak height and the peak
- location. Peak shape (2) has three unkown parameters: the peak
- height, the peak location, and the charge transfer coefficient
- (relatied to the peak width). Peak shape (3) has four unknown
- parameters: three of them as the same as peak shape (2) plus
- the standard rate constant (related to symmetry).
- CurFit can separate the overlapping peaks which the
- peak location differecnce is as small as 1 MV and quickly
- converge.
- CurFit outputs the following information:
- (1) The calculated values of the peak height, location and width.
- (2) The calculated values of the charge transfer coefficient for
- the irreversible peak.
- (3) The calculated values of the standard rate constant for the
- quasi-reversible peak.
- (4) Statistical data, e.g. the relative standard deviation RSD
- as a measurement of goodness of fit, the number of iterations, etc.
- If CurFit is interfaced with the software PlotData (a
- software plotter), they will output graph of the individual peaks,
- zoom in and out the graph, and locate any point of a peak.
- It offers an interactive menu environment for the easy to use.
- It runs on an IBM-PC with 640 KByte RAM under MS-DOS, the
- graphical monitors (CGA, EGA, or Hercules) for graphic output, or the
- dot matrix printers for the hardcopy.
- Shareware version of CurFit (CurFi11A.ZIP) will be available
- free from the Math directory in SIMTEL20 on many anonymous FTP sites
- (e.g. wsmr-simtel20.army.mil, rana.cc.deakin.oz.au, garbo.uwasa.fi).