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On-line calculator for gas chromatographic analysis of volatile compounds in alcoholic beverages by 3 methods
Developers: NAS LLC, Institute for Nuclear Problems of Belarusian State University (Minsk, Belarus).
2026-07-22

Abstract:

This program is designed for working with archived data obtained during gas chromatographic analysis of alcoholic beverages (wines, spirits drinks, other spirits) using any calibration method. The calculator is designed for a comparative evaluation of the metrological parameters which characterized the three types of methods:

  • the new modified internal standard method (IS_Ethanol), in which ethanol present in the samples is used as internal standard,
  • the traditional internal standard method (using an additionally added reference substance),
  • the external standard method (absolute calibration).

The required initial data for the calculator to operate are:
1) known certified values Ccert ​​of component concentrations in standard solutions (SS);
2) chromatogram data of SS and samples of alcoholic beverages.

The initial stage of all methods is calibration using information about the certified concentration values ​​Ccert of volatile compounds in SS. Next, using the established calibration coefficients, the content of volatile congeners Cmeas is determined in the analyzed samples.

A brief description of the calculator's capabilities and functions is provided...

Online calculator versions:

Printscreens of filled pages in mobile version of the calculator:

Download:
IconButelle2.png67422image/png2025-11-14 19:44:33

Brief description of calculator capabilities

The calculator supports the following units for certified values ​​of SS compound concentration and for results of measurement (AA - anhydrous alcohol): mg/L (mg/L = mg/dm3), mg/L AA, vol.%, vol.% AA, g/100L AA (g/100L AA = mg/100cm3 AA), µg/g.

In the "IS_Ethanol" method, calculations are performed per AA, therefore, the following units of measurement are possible for working with "IS_Ethanol": mg/L AA, %vol. AA, g/100L AA, mg/100cm3 AA.

To convert concentration values ​​from one unit of measurement to another, the density of the samples and the volumetric ethanol content of the samples may be required. If both the "primary" and "final" units of measurement are calculated per AA, then information about the strength and the density of SS and product samples is not required.

To evaluate metrological characteristics, the calculator allows using one, two or three calibration methods simultaneously: calculate the concentrations of compounds Сmeas in SS using chromatogram data and compare them with certified concentration values ​​Сcert by estimating the magnitude of the bias (in %), determine the values ​​of the standard deviation (SD) and the relative standard deviation (RSD) for these solutions, determine the values ​​of the response linearity coefficients - the determination coefficient R2 and the linear correlation coefficient Сp.

For product samples, the calculator allows using one, two or three calibration methods simultaneously: calculate the concentrations of compounds Cmeas in samples, determine the standard deviation (SD) and relative standard deviation (RSD).

In various regulatory documents on chromatographic analysis methods and software products for chromatography, the two following types of calibration dependencies are encountered:

  • dependences of concentration values ​​(the ratio of analyte and internal standard concentrations) on the compounds peak area (the ratio of the analyte and internal standard peak areas) - these dependencies are denoted by C/A;
  • dependences of compounds peak area values ​​(the ratio of the analyte and internal standard peak areas) on the concentration (the ratio of the analyte and internal standard concentrations) - these dependencies are denoted by A/C.
There are three version the on-line calculator: C/A, A/C and the both C/A and A/C calibrations.

The calculator has a "Main Menu" for navigation. To transfer user-entered data into the calculator, press the button "Press to Submit Data".

To save the received data, it is recommended to print the HTML page with the results as *.pdf file.


Example of saved file with data (calibration С/A) as *.pdf


If your browser do not support pdf, then the example of data file can be download Example.pdf

.

Printscreens of filled pages in mobile version of the calculator:



Online calculator versions:

Calculator with C/A calibration dependencies
Calculator with A/C calibration dependencies
Calculator with C/A and A/C calibration dependencies

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