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October 24, 2018 03:45 AM
 
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USER-DEFINED FORMULAS IN THE PEAK TABLE

There is a set of peak parameters that are typically included into reports, such as Height, Area, Width at Half-Height, Asymmetry, Concentration and some other. The core of Chrom&Spec software supports user-selectable formulas for some of parameters – e.g. Efficiency, Asymmetry, Resolution, Retention Index. Besides, in the cases of scientific calculations or method/device validation there is a need for more sophisticated calculations.

To support maximal flexibility with any method, Chrom&Spec allows the user to program into the report any conceivable calculation of peak parameters. These user-defined formulas are a powerful tool for solving non-standard tasks.

Formulas are written in a specially designed macro language, consisting of mathematical operators and macro-definitions. The language allows addressing of any peak in the chromatogram, calculates sums and averages, supports a lot of special functions, such as calculation of peak width at a given height, center of mass or median retention times, peak moments, spectral ratios, etc. Calculated values can be included into the peak table along with predefined ones.

The core of Chrom&Spec allows to extend sample description by the user-defined numeric or symbolic fields. These fields can be accessed in formulas, extending capability to automate any chromatographic method to the maximal extent and to get all required values in the report, generated by Chrom&Spec..
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User- defined formulas for analytical calculations


 

 

 

 

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